2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline

C18H20FN — CID 43634988

IUPAC2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
SMILESCc1cccc(C2CC(Nc3cc(C)ccc3F)C2)c1
InChIInChI=1S/C18H20FN/c1-12-4-3-5-14(8-12)15-10-16(11-15)20-18-9-13(2)6-7-17(18)19/h3-9,15-16,20H,10-11H2,1-2H3
InChIKeyBTRYDTXZQWJTKT-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.80
Rot. Bonds3

About 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline

2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline (PubChem CID 43634988) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
PubChem CID43634988
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
SMILESCc1cccc(C2CC(Nc3cc(C)ccc3F)C2)c1
InChIInChI=1S/C18H20FN/c1-12-4-3-5-14(8-12)15-10-16(11-15)20-18-9-13(2)6-7-17(18)19/h3-9,15-16,20H,10-11H2,1-2H3
InChIKeyBTRYDTXZQWJTKT-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-5-methyl-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

5-bromo-2-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635637
2-bromo-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 82761577
2,3,5-trifluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 63478572
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
3-bromo-2-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 107630267
2-bromo-4,6-difluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635256
2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine
CID 43707968
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
5-methyl-2-nitro-N-(3-phenylcyclobutyl)aniline
CID 115912369
2-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632160
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The IUPAC name of 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline (CID 43634988) is 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline is Cc1cccc(C2CC(Nc3cc(C)ccc3F)C2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline?
The InChIKey is BTRYDTXZQWJTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-4-3-5-14(8-12)15-10-16(11-15)20-18-9-13(2)6-7-17(18)19/h3-9,15-16,20H,10-11H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline?
2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline has a molecular weight of 269.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43634988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).