1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine

C15H14ClF2N — CID 115623666

IUPAC1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClF2N/c1-10(12-2-4-13(16)5-3-12)19-9-11-6-14(17)8-15(18)7-11/h2-8,10,19H,9H2,1H3
InChIKeyZNKUMRGXMOUUII-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.47
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine

1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 115623666) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
PubChem CID115623666
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClF2N/c1-10(12-2-4-13(16)5-3-12)19-9-11-6-14(17)8-15(18)7-11/h2-8,10,19H,9H2,1H3
InChIKeyZNKUMRGXMOUUII-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 105403222
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79710852
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
(1R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104928542

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine (CID 115623666) is 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine is CC(NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is ZNKUMRGXMOUUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10(12-2-4-13(16)5-3-12)19-9-11-6-14(17)8-15(18)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine?
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115623666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).