2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol

C17H20FNO — CID 115720367

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
SMILESCC(Cc1ccc(F)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(11-14-7-9-16(18)10-8-14)19-17(12-20)15-5-3-2-4-6-15/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyCBGNTKHVLZQSSP-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.08
Rot. Bonds6

About 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol

2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol (PubChem CID 115720367) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
PubChem CID115720367
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
SMILESCC(Cc1ccc(F)cc1)NC(CO)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(11-14-7-9-16(18)10-8-14)19-17(12-20)15-5-3-2-4-6-15/h2-10,13,17,19-20H,11-12H2,1H3
InChIKeyCBGNTKHVLZQSSP-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672
N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
CID 63462583
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol (CID 115720367) is 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol is CC(Cc1ccc(F)cc1)NC(CO)c1ccccc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol?
The InChIKey is CBGNTKHVLZQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(11-14-7-9-16(18)10-8-14)19-17(12-20)15-5-3-2-4-6-15/h2-10,13,17,19-20H,11-12H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol?
2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol has a molecular weight of 273.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol is sourced from PubChem (CID 115720367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).