3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine

C17H21N — CID 81009930

IUPAC3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine
SMILESCc1cccc(CC(CN)c2ccccc2)c1C
InChIInChI=1S/C17H21N/c1-13-7-6-10-16(14(13)2)11-17(12-18)15-8-4-3-5-9-15/h3-10,17H,11-12,18H2,1-2H3
InChIKeyYRVTXQKFDAWJSL-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.59
Rot. Bonds4

About 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine

3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine (PubChem CID 81009930) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine
PubChem CID81009930
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine
SMILESCc1cccc(CC(CN)c2ccccc2)c1C
InChIInChI=1S/C17H21N/c1-13-7-6-10-16(14(13)2)11-17(12-18)15-8-4-3-5-9-15/h3-10,17H,11-12,18H2,1-2H3
InChIKeyYRVTXQKFDAWJSL-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
2-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81223704
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
CID 82160440
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488
3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
CID 83972767
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
CID 65429469
2-phenylpentan-1-amine
CID 14321247
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine?
The IUPAC name of 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine (CID 81009930) is 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine is Cc1cccc(CC(CN)c2ccccc2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine?
The InChIKey is YRVTXQKFDAWJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13-7-6-10-16(14(13)2)11-17(12-18)15-8-4-3-5-9-15/h3-10,17H,11-12,18H2,1-2H3.
What are the key properties of 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine?
3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 81009930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).