2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine

C16H17Cl2N — CID 106866367

IUPAC2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Cl)ccc2C)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-10-3-5-12(15(18)7-10)8-16(19)14-9-13(17)6-4-11(14)2/h3-7,9,16H,8,19H2,1-2H3
InChIKeyJRAIRVIADUZHAA-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.85
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine (PubChem CID 106866367) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
PubChem CID106866367
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Cl)ccc2C)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-10-3-5-12(15(18)7-10)8-16(19)14-9-13(17)6-4-11(14)2/h3-7,9,16H,8,19H2,1-2H3
InChIKeyJRAIRVIADUZHAA-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471
2-(2,5-dichlorophenyl)-1-(2,4-dimethylphenyl)ethanamine
CID 115862990
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 106867653
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine (CID 106866367) is 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine is Cc1ccc(CC(N)c2cc(Cl)ccc2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine?
The InChIKey is JRAIRVIADUZHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-10-3-5-12(15(18)7-10)8-16(19)14-9-13(17)6-4-11(14)2/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine has a molecular weight of 294.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine is sourced from PubChem (CID 106866367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).