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

C13H20FNO — CID 111469148

IUPAC3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(2)13(7-8-16)15-9-11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyWSHNTHRXBWQORD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.32
Rot. Bonds6

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

3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol (PubChem CID 111469148) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
PubChem CID111469148
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCc1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(2)13(7-8-16)15-9-11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyWSHNTHRXBWQORD-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-[(4-fluorophenyl)methyl]-4-methylpentan-3-amine
CID 106353768
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949872
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
CID 103700904
4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 115686338
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzene-1,2-diol
CID 113357899
2-[4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenyl]propanoic acid
CID 106350938
3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol
CID 104879239
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
CID 103700842
7-[(4-fluorophenyl)methylamino]-4,4,8-trimethylnonanoic acid
CID 54234416
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]-2-methoxyphenol
CID 113357900
4-chloro-N-[(4-fluorophenyl)methyl]butan-2-amine
CID 83187315
4-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 103700974

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol (CID 111469148) is 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol is CC(C)C(CCO)NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol?
The InChIKey is WSHNTHRXBWQORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)13(7-8-16)15-9-11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol?
3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 111469148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).