(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

C16H17ClFN — CID 81348104

IUPAC(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11?,12-/m0/s1
InChIKeyQCPSNEDYDQUFIY-KIYNQFGBSA-N
MW277.77 g/mol
LogP4.89
Rot. Bonds4

About (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81348104) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81348104
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11?,12-/m0/s1
InChIKeyQCPSNEDYDQUFIY-KIYNQFGBSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[bis(4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 8000472
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
(1R)-N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81351513
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 43108630
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 81348104) is (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(N[C@@H](C)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is QCPSNEDYDQUFIY-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(13-3-7-15(17)8-4-13)19-12(2)14-5-9-16(18)10-6-14/h3-12,19H,1-2H3/t11?,12-/m0/s1.
What are the key properties of (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81348104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).