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

C15H15ClFN — CID 43178075

IUPACN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C15H15ClFN/c1-11(13-7-3-5-9-15(13)17)18-10-12-6-2-4-8-14(12)16/h2-9,11,18H,10H2,1H3
InChIKeyFVPILHIMEIVFPU-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.33
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 43178075) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID43178075
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C15H15ClFN/c1-11(13-7-3-5-9-15(13)17)18-10-12-6-2-4-8-14(12)16/h2-9,11,18H,10H2,1H3
InChIKeyFVPILHIMEIVFPU-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
2,4-dichloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 81380179
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 104980004
2-[1-[(2-chlorophenyl)methylamino]ethyl]-5-fluorophenol
CID 63065290
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 43178075) is N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is CC(NCc1ccccc1Cl)c1ccccc1F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is FVPILHIMEIVFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-11(13-7-3-5-9-15(13)17)18-10-12-6-2-4-8-14(12)16/h2-9,11,18H,10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 263.74 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 43178075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).