N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine

C15H14ClF2N — CID 114452647

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1cc(F)cc(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H14ClF2N/c1-10(14-4-2-3-5-15(14)18)19-9-11-6-12(16)8-13(17)7-11/h2-8,10,19H,9H2,1H3
InChIKeyDAHMFXQVUUTDTQ-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.47
Rot. Bonds4

About N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine

N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 114452647) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID114452647
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1cc(F)cc(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H14ClF2N/c1-10(14-4-2-3-5-15(14)18)19-9-11-6-12(16)8-13(17)7-11/h2-8,10,19H,9H2,1H3
InChIKeyDAHMFXQVUUTDTQ-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-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104928542
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104928541
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 81382922
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
N-[(3-chloro-5-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 114452114
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 81380179
1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
CID 114452325
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 114452647) is N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is CC(NCc1cc(F)cc(Cl)c1)c1ccccc1F.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is DAHMFXQVUUTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10(14-4-2-3-5-15(14)18)19-9-11-6-12(16)8-13(17)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)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 N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 114452647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).