3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine

C13H18FN — CID 81418202

IUPAC3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(F)c(C)c2)C1C
InChIInChI=1S/C13H18FN/c1-8-6-10(4-5-12(8)14)11-7-13(15-3)9(11)2/h4-6,9,11,13,15H,7H2,1-3H3
InChIKeyZSAQRVXKXKIUHX-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.85
Rot. Bonds2

About 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine

3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine (PubChem CID 81418202) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine
PubChem CID81418202
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(F)c(C)c2)C1C
InChIInChI=1S/C13H18FN/c1-8-6-10(4-5-12(8)14)11-7-13(15-3)9(11)2/h4-6,9,11,13,15H,7H2,1-3H3
InChIKeyZSAQRVXKXKIUHX-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-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

2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
2-(3,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 22736783
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
N,2-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 81417477
3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
CID 81417795
N,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclobutan-1-amine
CID 81417374
4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene
CID 81358874
3-(4-fluoro-3-methylphenyl)-4-methylpyrrolidine
CID 130900633
[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 62704549
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79408179
3-(3,4-dipropoxyphenyl)-N,2-dimethylcyclobutan-1-amine
CID 81417456

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine (CID 81418202) is 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine is CNC1CC(c2ccc(F)c(C)c2)C1C.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine?
The InChIKey is ZSAQRVXKXKIUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-8-6-10(4-5-12(8)14)11-7-13(15-3)9(11)2/h4-6,9,11,13,15H,7H2,1-3H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine?
3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81418202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).