(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine

C16H16ClF2N — CID 81352116

IUPAC(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10(12-3-5-14(17)6-4-12)20-11(2)13-7-15(18)9-16(19)8-13/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyBNLJQZMOBDDWSV-VUWPPUDQSA-N
MW295.76 g/mol
LogP5.03
Rot. Bonds4

About (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine

(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine (PubChem CID 81352116) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
PubChem CID81352116
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10(12-3-5-14(17)6-4-12)20-11(2)13-7-15(18)9-16(19)8-13/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeyBNLJQZMOBDDWSV-VUWPPUDQSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.76
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
CID 97051252
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine (CID 81352116) is (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine is CC(N[C@@H](C)c1ccc(Cl)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine?
The InChIKey is BNLJQZMOBDDWSV-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10(12-3-5-14(17)6-4-12)20-11(2)13-7-15(18)9-16(19)8-13/h3-11,20H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine?
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine has a molecular weight of 295.76 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81352116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).