4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol

C17H20FNO2 — CID 154866336

IUPAC4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol
SMILESCC(Cc1ccc(O)cc1)NC(C)c1cc(O)ccc1F
InChIInChI=1S/C17H20FNO2/c1-11(9-13-3-5-14(20)6-4-13)19-12(2)16-10-15(21)7-8-17(16)18/h3-8,10-12,19-21H,9H2,1-2H3
InChIKeyGUJHICULAQEYLE-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.52
Rot. Bonds5

About 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol

4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol (PubChem CID 154866336) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol
PubChem CID154866336
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol
SMILESCC(Cc1ccc(O)cc1)NC(C)c1cc(O)ccc1F
InChIInChI=1S/C17H20FNO2/c1-11(9-13-3-5-14(20)6-4-13)19-12(2)16-10-15(21)7-8-17(16)18/h3-8,10-12,19-21H,9H2,1-2H3
InChIKeyGUJHICULAQEYLE-UHFFFAOYSA-N
XLogP3.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(4-fluorophenyl)propan-2-ylamino]ethyl]benzene-1,4-diol
CID 63010168
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
2-[1-(4-methylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43371912
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
CID 115494501
4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol
CID 97322144
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol?
The IUPAC name of 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol (CID 154866336) is 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol?
The canonical SMILES for 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol is CC(Cc1ccc(O)cc1)NC(C)c1cc(O)ccc1F.
What is the InChIKey of 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol?
The InChIKey is GUJHICULAQEYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11(9-13-3-5-14(20)6-4-13)19-12(2)16-10-15(21)7-8-17(16)18/h3-8,10-12,19-21H,9H2,1-2H3.
What are the key properties of 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol?
4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol has a molecular weight of 289.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 154866336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).