4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline

C17H18FN — CID 43633563

IUPAC4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
SMILESCc1cccc(C2CC(Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H18FN/c1-12-3-2-4-13(9-12)14-10-17(11-14)19-16-7-5-15(18)6-8-16/h2-9,14,17,19H,10-11H2,1H3
InChIKeyVGAZRXBZJFYXJZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.49
Rot. Bonds3

About 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline

4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline (PubChem CID 43633563) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
PubChem CID43633563
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
SMILESCc1cccc(C2CC(Nc3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H18FN/c1-12-3-2-4-13(9-12)14-10-17(11-14)19-16-7-5-15(18)6-8-16/h2-9,14,17,19H,10-11H2,1H3
InChIKeyVGAZRXBZJFYXJZ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline 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

N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558
4-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632156
2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 63478572
2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43634988
3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43633782
2-bromo-4,6-difluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635256
5-bromo-2-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635637
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
3-(methoxymethyl)-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43672274
N-[3-(3-bromophenyl)cyclobutyl]-3,4-difluoroaniline
CID 43633363
2-bromo-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 82761577

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline (CID 43633563) is 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline is Cc1cccc(C2CC(Nc3ccc(F)cc3)C2)c1.
What is the InChIKey of 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The InChIKey is VGAZRXBZJFYXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-3-2-4-13(9-12)14-10-17(11-14)19-16-7-5-15(18)6-8-16/h2-9,14,17,19H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline?
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline has a molecular weight of 255.34 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).