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

C15H14ClF2N — CID 81350945

IUPAC(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClF2N/c1-10(12-3-5-13(17)6-4-12)19-9-11-2-7-15(18)14(16)8-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyBYLZOJZLDRPVRJ-SNVBAGLBSA-N
MW281.73 g/mol
LogP4.47
Rot. Bonds4

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

(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81350945) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81350945
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14ClF2N/c1-10(12-3-5-13(17)6-4-12)19-9-11-2-7-15(18)14(16)8-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyBYLZOJZLDRPVRJ-SNVBAGLBSA-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

1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 63420735

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 81350945) is (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine is C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is BYLZOJZLDRPVRJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10(12-3-5-13(17)6-4-12)19-9-11-2-7-15(18)14(16)8-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-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 (1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81350945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).