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

C15H15ClFN — CID 28645160

IUPAC(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFN/c1-11(13-5-7-14(16)8-6-13)18-10-12-3-2-4-15(17)9-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyZKKBSRDBMXHTIJ-LLVKDONJSA-N
MW263.74 g/mol
LogP4.33
Rot. Bonds4

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

(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine (PubChem CID 28645160) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
PubChem CID28645160
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFN/c1-11(13-5-7-14(16)8-6-13)18-10-12-3-2-4-15(17)9-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1
InChIKeyZKKBSRDBMXHTIJ-LLVKDONJSA-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

Analyze (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
1-(2,6-dichloro-3-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43545172
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
4-[1-[(3-fluorophenyl)methylamino]ethyl]benzonitrile
CID 43123252
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365762
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine (CID 28645160) is (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine is C[C@@H](NCc1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The InChIKey is ZKKBSRDBMXHTIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-11(13-5-7-14(16)8-6-13)18-10-12-3-2-4-15(17)9-12/h2-9,11,18H,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]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 (1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 28645160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).