1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine

C15H14Cl3N — CID 63415410

IUPAC1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3N/c1-19-15(11-4-2-3-5-12(11)16)9-10-6-7-13(17)14(18)8-10/h2-8,15,19H,9H2,1H3
InChIKeyMWVZSCBNJSYMFF-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.15
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine

1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine (PubChem CID 63415410) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
PubChem CID63415410
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3N/c1-19-15(11-4-2-3-5-12(11)16)9-10-6-7-13(17)14(18)8-10/h2-8,15,19H,9H2,1H3
InChIKeyMWVZSCBNJSYMFF-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
2-(3,4-dichlorophenyl)-N-methyl-1-pyridin-2-ylethanamine
CID 62601667
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
2-(3,4-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105136491
1-(4-bromo-2-fluorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63527821
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine
CID 105136569

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine (CID 63415410) is 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine?
The InChIKey is MWVZSCBNJSYMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-19-15(11-4-2-3-5-12(11)16)9-10-6-7-13(17)14(18)8-10/h2-8,15,19H,9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine?
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine has a molecular weight of 314.64 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 63415410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).