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

C15H14Cl3N — CID 43486451

IUPAC2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3N/c1-19-15(8-10-2-5-12(16)6-3-10)11-4-7-13(17)14(18)9-11/h2-7,9,15,19H,8H2,1H3
InChIKeyVJYGIGZKTNVCFD-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.15
Rot. Bonds4

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

2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine (PubChem CID 43486451) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
PubChem CID43486451
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3N/c1-19-15(8-10-2-5-12(16)6-3-10)11-4-7-13(17)14(18)9-11/h2-7,9,15,19H,8H2,1H3
InChIKeyVJYGIGZKTNVCFD-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

2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine (CID 43486451) is 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine?
The InChIKey is VJYGIGZKTNVCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-19-15(8-10-2-5-12(16)6-3-10)11-4-7-13(17)14(18)9-11/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(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 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 43486451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).