(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol

C17H20FNO — CID 103788672

IUPAC(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
SMILESCC(Cc1cccc(F)c1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(10-14-6-5-9-16(18)11-14)19-17(12-20)15-7-3-2-4-8-15/h2-9,11,13,17,19-20H,10,12H2,1H3/t13?,17-/m0/s1
InChIKeyTXDUFYSSKDHOKC-RUINGEJQSA-N
MW273.35 g/mol
LogP3.08
Rot. Bonds6

About (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol

(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol (PubChem CID 103788672) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
PubChem CID103788672
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
SMILESCC(Cc1cccc(F)c1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H20FNO/c1-13(10-14-6-5-9-16(18)11-14)19-17(12-20)15-7-3-2-4-8-15/h2-9,11,13,17,19-20H,10,12H2,1H3/t13?,17-/m0/s1
InChIKeyTXDUFYSSKDHOKC-RUINGEJQSA-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
2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 115720367
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
3-[1-(3-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-1-ol
CID 104925953
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol (CID 103788672) is (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol is CC(Cc1cccc(F)c1)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol?
The InChIKey is TXDUFYSSKDHOKC-RUINGEJQSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(10-14-6-5-9-16(18)11-14)19-17(12-20)15-7-3-2-4-8-15/h2-9,11,13,17,19-20H,10,12H2,1H3/t13?,17-/m0/s1.
What are the key properties of (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol?
(2R)-2-[1-(3-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 (2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol is sourced from PubChem (CID 103788672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).