1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol

C13H18FNO — CID 111114623

IUPAC1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESCc1cc(CNCC2(O)CCC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-7-11(3-4-12(10)14)8-15-9-13(16)5-2-6-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3
InChIKeyPJGZOHDKTABFLI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.14
Rot. Bonds4

About 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol

1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol (PubChem CID 111114623) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
PubChem CID111114623
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
SMILESCc1cc(CNCC2(O)CCC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-7-11(3-4-12(10)14)8-15-9-13(16)5-2-6-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3
InChIKeyPJGZOHDKTABFLI-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256614
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
2,6-difluoro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115680075
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63452843
2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115625698
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
3-[[(3,4-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629682

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol (CID 111114623) is 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol is Cc1cc(CNCC2(O)CCC2)ccc1F.
What is the InChIKey of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol?
The InChIKey is PJGZOHDKTABFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-7-11(3-4-12(10)14)8-15-9-13(16)5-2-6-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol?
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 111114623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).