1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol

C17H20FNO — CID 62374837

IUPAC1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
SMILESCC(NCC(C)(O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-13(14-8-10-16(18)11-9-14)19-12-17(2,20)15-6-4-3-5-7-15/h3-11,13,19-20H,12H2,1-2H3
InChIKeyGWPQJSUMRDUCOC-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.38
Rot. Bonds5

About 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol

1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol (PubChem CID 62374837) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
PubChem CID62374837
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
SMILESCC(NCC(C)(O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-13(14-8-10-16(18)11-9-14)19-12-17(2,20)15-6-4-3-5-7-15/h3-11,13,19-20H,12H2,1-2H3
InChIKeyGWPQJSUMRDUCOC-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
2-(4-methylsulfonylphenyl)-1-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 75517353
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81348060
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 63451569
methyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,2-dimethylpropanoate
CID 81348035
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
N-[1-(4-fluorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552508

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol (CID 62374837) is 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol is CC(NCC(C)(O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol?
The InChIKey is GWPQJSUMRDUCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(14-8-10-16(18)11-9-14)19-12-17(2,20)15-6-4-3-5-7-15/h3-11,13,19-20H,12H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol?
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol has a molecular weight of 273.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 62374837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).