4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol

C17H20FNO2 — CID 110184271

IUPAC4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol
SMILESCc1cc(C(O)C(C)NCc2ccc(F)cc2)ccc1O
InChIInChI=1S/C17H20FNO2/c1-11-9-14(5-8-16(11)20)17(21)12(2)19-10-13-3-6-15(18)7-4-13/h3-9,12,17,19-21H,10H2,1-2H3
InChIKeyVRAGLDFGELUPEN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.05
Rot. Bonds5

About 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol

4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol (PubChem CID 110184271) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol
PubChem CID110184271
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol
SMILESCc1cc(C(O)C(C)NCc2ccc(F)cc2)ccc1O
InChIInChI=1S/C17H20FNO2/c1-11-9-14(5-8-16(11)20)17(21)12(2)19-10-13-3-6-15(18)7-4-13/h3-9,12,17,19-21H,10H2,1-2H3
InChIKeyVRAGLDFGELUPEN-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82312509
1-(4-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)methylamino]propan-1-ol
CID 111422148
4-[1-hydroxy-2-(3-hydroxypropylamino)propyl]-2-methylphenol
CID 110183946
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxypropyl]-2-methylphenol
CID 110184275
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
(1S,2R)-2-[[4-(diethylamino)phenyl]methylamino]-1-(3,4-difluorophenyl)propan-1-ol
CID 124683676
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol?
The IUPAC name of 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol (CID 110184271) is 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol is Cc1cc(C(O)C(C)NCc2ccc(F)cc2)ccc1O.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol?
The InChIKey is VRAGLDFGELUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-9-14(5-8-16(11)20)17(21)12(2)19-10-13-3-6-15(18)7-4-13/h3-9,12,17,19-21H,10H2,1-2H3.
What are the key properties of 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol?
4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol has a molecular weight of 289.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol is sourced from PubChem (CID 110184271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).