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

C13H20FNO — CID 103631775

IUPAC1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-10(2)7-12(16)9-15-8-11-5-3-4-6-13(11)14/h3-6,10,12,15-16H,7-9H2,1-2H3
InChIKeyMMFWRMOSYQSYGN-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.32
Rot. Bonds6

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

1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol (PubChem CID 103631775) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
PubChem CID103631775
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-10(2)7-12(16)9-15-8-11-5-3-4-6-13(11)14/h3-6,10,12,15-16H,7-9H2,1-2H3
InChIKeyMMFWRMOSYQSYGN-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

2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
4-[[(2-hydroxy-4-methylpentyl)amino]methyl]benzene-1,3-diol
CID 113232260
4-methyl-1-[(2-nitrophenyl)methylamino]pentan-2-ol
CID 103637396
1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
CID 122660658
4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
CID 115611326
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
CID 115123586
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol (CID 103631775) is 1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol is CC(C)CC(O)CNCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol?
The InChIKey is MMFWRMOSYQSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)7-12(16)9-15-8-11-5-3-4-6-13(11)14/h3-6,10,12,15-16H,7-9H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol?
1-[(2-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-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol is sourced from PubChem (CID 103631775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).