(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine

C15H14F3N — CID 96938323

IUPAC(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1cc(F)cc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14F3N/c1-10(12-2-4-13(16)5-3-12)19-9-11-6-14(17)8-15(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyFECHCTKHYFJIMO-SNVBAGLBSA-N
MW265.28 g/mol
LogP3.95
Rot. Bonds4

About (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 96938323) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID96938323
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1cc(F)cc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H14F3N/c1-10(12-2-4-13(16)5-3-12)19-9-11-6-14(17)8-15(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyFECHCTKHYFJIMO-SNVBAGLBSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 105403222
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623582
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79710852
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
(1R)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351806
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 79710098

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 96938323) is (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine is C[C@@H](NCc1cc(F)cc(F)c1)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is FECHCTKHYFJIMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14F3N/c1-10(12-2-4-13(16)5-3-12)19-9-11-6-14(17)8-15(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 96938323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).