3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine

C17H20ClN — CID 83972767

IUPAC3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2ccccc2Cl)cc1C
InChIInChI=1S/C17H20ClN/c1-12-7-8-14(9-13(12)2)16(11-19)10-15-5-3-4-6-17(15)18/h3-9,16H,10-11,19H2,1-2H3
InChIKeyZSQKJMHNYRWZAO-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.24
Rot. Bonds4

About 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine

3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine (PubChem CID 83972767) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
PubChem CID83972767
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
SMILESCc1ccc(C(CN)Cc2ccccc2Cl)cc1C
InChIInChI=1S/C17H20ClN/c1-12-7-8-14(9-13(12)2)16(11-19)10-15-5-3-4-6-17(15)18/h3-9,16H,10-11,19H2,1-2H3
InChIKeyZSQKJMHNYRWZAO-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine
CID 83974142
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
CID 113397323
2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83972764
2-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 83972735
2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
2-(3,4-dimethylphenyl)-3-(3-phenoxyphenyl)propan-1-amine
CID 83972725
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-methylbenzene
CID 79436619

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine (CID 83972767) is 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine is Cc1ccc(C(CN)Cc2ccccc2Cl)cc1C.
What is the InChIKey of 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine?
The InChIKey is ZSQKJMHNYRWZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-7-8-14(9-13(12)2)16(11-19)10-15-5-3-4-6-17(15)18/h3-9,16H,10-11,19H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine?
3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 83972767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).