(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine

C15H14ClF2N — CID 28649455

IUPAC(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(17)8-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyJRNWBYPSJCZDNG-JTQLQIEISA-N
MW281.73 g/mol
LogP4.47
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine (PubChem CID 28649455) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
PubChem CID28649455
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccc(F)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClF2N/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(17)8-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyJRNWBYPSJCZDNG-JTQLQIEISA-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

(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81372333
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
3-[1-[(4-chloro-2-fluorophenyl)methylamino]ethyl]phenol
CID 114842006
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
2-[[1-(3-chlorophenyl)ethylamino]methyl]-4-fluorobenzonitrile
CID 103912626
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine (CID 28649455) is (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine is C[C@H](NCc1ccc(F)cc1F)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine?
The InChIKey is JRNWBYPSJCZDNG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10(11-3-2-4-13(16)7-11)19-9-12-5-6-14(17)8-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]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 (1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 28649455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).