4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol

C17H20FNO — CID 111449004

IUPAC4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol
SMILESOCCC(CNCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H20FNO/c18-17-8-6-14(7-9-17)12-19-13-16(10-11-20)15-4-2-1-3-5-15/h1-9,16,19-20H,10-13H2
InChIKeyXOKYGVWATQFZMD-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.08
Rot. Bonds7

About 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol

4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol (PubChem CID 111449004) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol
PubChem CID111449004
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol
SMILESOCCC(CNCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H20FNO/c18-17-8-6-14(7-9-17)12-19-13-16(10-11-20)15-4-2-1-3-5-15/h1-9,16,19-20H,10-13H2
InChIKeyXOKYGVWATQFZMD-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

4-[(4-nitrophenyl)methylamino]-3-phenylbutan-1-ol
CID 111449092
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
4-(1H-imidazol-2-ylmethylamino)-3-phenylbutan-1-ol
CID 111449052
[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
CID 69407368
N-benzyl-2-phenylbutan-1-amine
CID 60658494
4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-phenylbutan-1-ol
CID 111449046
1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452641
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876
4-[(4-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 115219892
N-[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]methanesulfonamide
CID 69436440
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol (CID 111449004) is 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol is OCCC(CNCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol?
The InChIKey is XOKYGVWATQFZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-17-8-6-14(7-9-17)12-19-13-16(10-11-20)15-4-2-1-3-5-15/h1-9,16,19-20H,10-13H2.
What are the key properties of 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol?
4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]-3-phenylbutan-1-ol is sourced from PubChem (CID 111449004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).