1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol

C13H20FNO — CID 103631776

IUPAC1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-10(2)6-13(16)9-15-8-11-4-3-5-12(14)7-11/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3
InChIKeyFPCCEJCIMMTZCI-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.32
Rot. Bonds6

About 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol

1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol (PubChem CID 103631776) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
PubChem CID103631776
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-10(2)6-13(16)9-15-8-11-4-3-5-12(14)7-11/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3
InChIKeyFPCCEJCIMMTZCI-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

4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252092
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
1-[(3-fluoro-4-nitrophenyl)methylamino]-4-methylpentan-2-ol
CID 107152443
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
CID 142673140

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol (CID 103631776) is 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol is CC(C)CC(O)CNCc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol?
The InChIKey is FPCCEJCIMMTZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)6-13(16)9-15-8-11-4-3-5-12(14)7-11/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol?
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-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 1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 103631776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).