1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine

C15H14Cl3N — CID 107312388

IUPAC1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
SMILESCc1c(Cl)cccc1C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl3N/c1-9-11(5-3-6-12(9)16)14(19)8-10-4-2-7-13(17)15(10)18/h2-7,14H,8,19H2,1H3
InChIKeyPQYVCMCXJNIOEB-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.20
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine

1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine (PubChem CID 107312388) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
PubChem CID107312388
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
SMILESCc1c(Cl)cccc1C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl3N/c1-9-11(5-3-6-12(9)16)14(19)8-10-4-2-7-13(17)15(10)18/h2-7,14H,8,19H2,1H3
InChIKeyPQYVCMCXJNIOEB-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine
CID 107103021
2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 107312036
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107309207
2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107311807
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311802
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 63416558

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine (CID 107312388) is 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine is Cc1c(Cl)cccc1C(N)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine?
The InChIKey is PQYVCMCXJNIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-9-11(5-3-6-12(9)16)14(19)8-10-4-2-7-13(17)15(10)18/h2-7,14H,8,19H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine?
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine has a molecular weight of 314.64 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 107312388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).