1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine

C16H17Cl2N — CID 106866364

IUPAC1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cccc(C)c2Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-10-6-7-12(14(17)8-10)9-15(19)13-5-3-4-11(2)16(13)18/h3-8,15H,9,19H2,1-2H3
InChIKeyFGEYECOJUAHCPP-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.85
Rot. Bonds3

About 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine

1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine (PubChem CID 106866364) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
PubChem CID106866364
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cccc(C)c2Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-10-6-7-12(14(17)8-10)9-15(19)13-5-3-4-11(2)16(13)18/h3-8,15H,9,19H2,1-2H3
InChIKeyFGEYECOJUAHCPP-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)ethanamine
CID 106866367
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(3-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 64713976
1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538026
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
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
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 106867685

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine (CID 106866364) is 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine is Cc1ccc(CC(N)c2cccc(C)c2Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
The InChIKey is FGEYECOJUAHCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-10-6-7-12(14(17)8-10)9-15(19)13-5-3-4-11(2)16(13)18/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine?
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-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 1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine is sourced from PubChem (CID 106866364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).