1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine

C11H14FN — CID 117278095

IUPAC1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2(N)CCC2)cc1F
InChIInChI=1S/C11H14FN/c1-8-3-4-9(7-10(8)12)11(13)5-2-6-11/h3-4,7H,2,5-6,13H2,1H3
InChIKeyCVQMIPZBQXBLCI-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.47
Rot. Bonds1

About 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine

1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine (PubChem CID 117278095) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
PubChem CID117278095
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2(N)CCC2)cc1F
InChIInChI=1S/C11H14FN/c1-8-3-4-9(7-10(8)12)11(13)5-2-6-11/h3-4,7H,2,5-6,13H2,1H3
InChIKeyCVQMIPZBQXBLCI-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine 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-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene
CID 161365130
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
2-fluoro-4-(1-methoxycyclopentyl)-1-methylbenzene
CID 161365131
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]cyclobutan-1-amine
CID 117365262
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
CID 84768955
2-cyclohexyl-1-(3-fluoro-4-methylphenyl)cyclohexan-1-amine
CID 107128239

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine (CID 117278095) is 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine is Cc1ccc(C2(N)CCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine?
The InChIKey is CVQMIPZBQXBLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-3-4-9(7-10(8)12)11(13)5-2-6-11/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine?
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117278095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).