3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine

C12H16FN — CID 130531868

IUPAC3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1cc(F)ccc1CC1CC(N)C1
InChIInChI=1S/C12H16FN/c1-8-4-11(13)3-2-10(8)5-9-6-12(14)7-9/h2-4,9,12H,5-7,14H2,1H3
InChIKeyPBCRXPHHGIYZTJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.41
Rot. Bonds2

About 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine

3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 130531868) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID130531868
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1cc(F)ccc1CC1CC(N)C1
InChIInChI=1S/C12H16FN/c1-8-4-11(13)3-2-10(8)5-9-6-12(14)7-9/h2-4,9,12H,5-7,14H2,1H3
InChIKeyPBCRXPHHGIYZTJ-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-fluoro-2-methylphenyl)methyl]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

3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423
4-[(4-fluoro-2-methylphenyl)methyl]thiolan-3-amine
CID 114346511
[2-[(4-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 114350126
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116926413
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-one
CID 114346454
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
2-[(3-chlorocyclopentyl)methyl]-4-fluoro-1-methylbenzene
CID 105375583
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
3-amino-1-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-ol
CID 114346957
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine (CID 130531868) is 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine is Cc1cc(F)ccc1CC1CC(N)C1.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is PBCRXPHHGIYZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-4-11(13)3-2-10(8)5-9-6-12(14)7-9/h2-4,9,12H,5-7,14H2,1H3.
What are the key properties of 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine?
3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 130531868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).