[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine

C13H18FNO — CID 117320250

IUPAC[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
SMILESCOc1c(F)cc(C)cc1C1(CN)CCC1
InChIInChI=1S/C13H18FNO/c1-9-6-10(12(16-2)11(14)7-9)13(8-15)4-3-5-13/h6-7H,3-5,8,15H2,1-2H3
InChIKeyCZQMXIWYPYPXPM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.52
Rot. Bonds3

About [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine

[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine (PubChem CID 117320250) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
PubChem CID117320250
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
SMILESCOc1c(F)cc(C)cc1C1(CN)CCC1
InChIInChI=1S/C13H18FNO/c1-9-6-10(12(16-2)11(14)7-9)13(8-15)4-3-5-13/h6-7H,3-5,8,15H2,1-2H3
InChIKeyCZQMXIWYPYPXPM-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine (CID 117320250) is [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine is COc1c(F)cc(C)cc1C1(CN)CCC1.
What is the InChIKey of [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine?
The InChIKey is CZQMXIWYPYPXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-10(12(16-2)11(14)7-9)13(8-15)4-3-5-13/h6-7H,3-5,8,15H2,1-2H3.
What are the key properties of [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine?
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117320250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).