1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine

C15H14Cl3N — CID 114879159

IUPAC1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl3N/c1-9(19-2)14-4-3-10(7-15(14)18)11-5-12(16)8-13(17)6-11/h3-9,19H,1-2H3
InChIKeyJRAWHKWWZJKIPG-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.59
Rot. Bonds3

About 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine

1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine (PubChem CID 114879159) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
PubChem CID114879159
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl3N/c1-9(19-2)14-4-3-10(7-15(14)18)11-5-12(16)8-13(17)6-11/h3-9,19H,1-2H3
InChIKeyJRAWHKWWZJKIPG-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
CID 82783154
1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 82539969
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166
1-[2-chloro-4-(2,3,4-trifluorophenyl)phenyl]-N-methylethanamine
CID 82781900
1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
CID 82782798
1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 82782672
1-[2-chloro-4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 82775201
1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine
CID 116645117
(1S)-1-(2-chloro-4-ethylphenyl)-N-methylethanamine;ethane
CID 142237879
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine (CID 114879159) is 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine?
The InChIKey is JRAWHKWWZJKIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-9(19-2)14-4-3-10(7-15(14)18)11-5-12(16)8-13(17)6-11/h3-9,19H,1-2H3.
What are the key properties of 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine?
1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine has a molecular weight of 314.64 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 114879159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).