N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

C15H14Cl2FN — CID 115664149

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(NCc1cccc(Cl)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2FN/c1-10(11-5-7-13(16)8-6-11)19-9-12-3-2-4-14(17)15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyWOUKDCKPLVCTIW-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.98
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine

N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 115664149) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
PubChem CID115664149
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
SMILESCC(NCc1cccc(Cl)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2FN/c1-10(11-5-7-13(16)8-6-11)19-9-12-3-2-4-14(17)15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyWOUKDCKPLVCTIW-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791683
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 104930243
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
(1R)-1-(2-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 104930257
1-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 102859822
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 104930267
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 114987154
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 115664143

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine (CID 115664149) is N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine is CC(NCc1cccc(Cl)c1F)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is WOUKDCKPLVCTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-10(11-5-7-13(16)8-6-11)19-9-12-3-2-4-14(17)15(12)18/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine?
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 115664149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).