1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine

C16H17F2N — CID 81364880

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-11(13-6-8-15(17)9-7-13)19-12(2)14-4-3-5-16(18)10-14/h3-12,19H,1-2H3/t11?,12-/m0/s1
InChIKeyABCDNUQEGCUHSY-KIYNQFGBSA-N
MW261.32 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine

1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine (PubChem CID 81364880) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
PubChem CID81364880
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-11(13-6-8-15(17)9-7-13)19-12(2)14-4-3-5-16(18)10-14/h3-12,19H,1-2H3/t11?,12-/m0/s1
InChIKeyABCDNUQEGCUHSY-KIYNQFGBSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
4-[1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81365102
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
N-[(1S)-1-(3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 104865323

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine (CID 81364880) is 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine is CC(N[C@@H](C)c1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine?
The InChIKey is ABCDNUQEGCUHSY-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11(13-6-8-15(17)9-7-13)19-12(2)14-4-3-5-16(18)10-14/h3-12,19H,1-2H3/t11?,12-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine?
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 81364880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).