(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

C16H17ClFN — CID 81350627

IUPAC(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C16H17ClFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyVGYSFKNYFNJISQ-JHJMLUEUSA-N
MW277.77 g/mol
LogP4.89
Rot. Bonds4

About (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81350627) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81350627
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCC(N[C@H](C)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C16H17ClFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3/t11-,12?/m1/s1
InChIKeyVGYSFKNYFNJISQ-JHJMLUEUSA-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

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43227005
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
1-(3-chloro-4-fluorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 43110891
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
CID 43202684
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 81350627) is (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is CC(N[C@H](C)c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is VGYSFKNYFNJISQ-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(13-7-9-14(18)10-8-13)19-12(2)15-5-3-4-6-16(15)17/h3-12,19H,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[1-(2-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 (1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81350627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).