2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine

C15H14Cl2FN — CID 103039760

IUPAC2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2FN/c1-19-15(11-3-5-12(16)6-4-11)9-10-2-7-14(18)13(17)8-10/h2-8,15,19H,9H2,1H3
InChIKeyDIAQRYXSZATAJP-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.64
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine

2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 103039760) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID103039760
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2FN/c1-19-15(11-3-5-12(16)6-4-11)9-10-2-7-14(18)13(17)8-10/h2-8,15,19H,9H2,1H3
InChIKeyDIAQRYXSZATAJP-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 103043135
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(5-bromofuran-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103042976
1-(2-bromophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103039915
1-(3-chloro-4-fluorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 82876788
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine (CID 103039760) is 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is DIAQRYXSZATAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-19-15(11-3-5-12(16)6-4-11)9-10-2-7-14(18)13(17)8-10/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 103039760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).