2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol

C16H18FNO — CID 55158651

IUPAC2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
SMILESCC(NC(CO)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c1-12(13-7-9-15(17)10-8-13)18-16(11-19)14-5-3-2-4-6-14/h2-10,12,16,18-19H,11H2,1H3
InChIKeySHNQXGWWHOVLPU-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.21
Rot. Bonds5

About 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol

2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol (PubChem CID 55158651) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
PubChem CID55158651
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
SMILESCC(NC(CO)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c1-12(13-7-9-15(17)10-8-13)18-16(11-19)14-5-3-2-4-6-14/h2-10,12,16,18-19H,11H2,1H3
InChIKeySHNQXGWWHOVLPU-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81347485
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
(2S)-2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-phenylethanol
CID 103784026
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 115720367
5-fluoro-2-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]phenol
CID 63182312
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
CID 103894880

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol?
The IUPAC name of 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol (CID 55158651) is 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol is CC(NC(CO)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol?
The InChIKey is SHNQXGWWHOVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(13-7-9-15(17)10-8-13)18-16(11-19)14-5-3-2-4-6-14/h2-10,12,16,18-19H,11H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol?
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol has a molecular weight of 259.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 55158651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).