(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine

C16H18FN — CID 78956090

IUPAC(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
SMILESCC(N[C@H](C)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h3-13,18H,1-2H3/t12-,13?/m1/s1
InChIKeyVUKXJACOTHKDES-PZORYLMUSA-N
MW243.33 g/mol
LogP4.24
Rot. Bonds4

About (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine

(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine (PubChem CID 78956090) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
PubChem CID78956090
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
SMILESCC(N[C@H](C)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h3-13,18H,1-2H3/t12-,13?/m1/s1
InChIKeyVUKXJACOTHKDES-PZORYLMUSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
(1S)-N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347768

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine (CID 78956090) is (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine is CC(N[C@H](C)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine?
The InChIKey is VUKXJACOTHKDES-PZORYLMUSA-N. The full InChI is InChI=1S/C16H18FN/c1-12(14-6-4-3-5-7-14)18-13(2)15-8-10-16(17)11-9-15/h3-13,18H,1-2H3/t12-,13?/m1/s1.
What are the key properties of (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine?
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine has a molecular weight of 243.33 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 78956090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).