Mrv0541 02241219252D          

 10 10  0  0  0  0            999 V2000
    1.4433    1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    1.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009    0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4433   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4433   -1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416   -1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009070

> <DATABASE_NAME>
chemdb

> <SMILES>
CN(C)CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3

> <INCHI_KEY>
XXBDWLFCJWSEKW-UHFFFAOYSA-N

> <FORMULA>
C9H13N

> <MOLECULAR_WEIGHT>
135.2062

> <EXACT_MASS>
135.104799421

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
16.23838143076139

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
benzyldimethylamine

> <ALOGPS_LOGP>
1.84

> <JCHEM_LOGP>
1.9146425829999996

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.988290737968656

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
44.6007

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethylbenzylamine

> <JCHEM_VEBER_RULE>
1

> <NAME>
N,N-Dimethylbenzylamine

> <CAS>
103-83-3

> <SYNONYMS>
benzyldimethylamine

$$$$