3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine

C18H20ClN — CID 43634406

IUPAC3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1cccc(CNC2CC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C18H20ClN/c1-13-3-2-4-14(9-13)12-20-18-10-16(11-18)15-5-7-17(19)8-6-15/h2-9,16,18,20H,10-12H2,1H3
InChIKeyWOLDDBOJMRIUDZ-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.68
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine

3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 43634406) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID43634406
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCc1cccc(CNC2CC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C18H20ClN/c1-13-3-2-4-14(9-13)12-20-18-10-16(11-18)15-5-7-17(19)8-6-15/h2-9,16,18,20H,10-12H2,1H3
InChIKeyWOLDDBOJMRIUDZ-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-N-[(3-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

N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
3-(4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 62313715
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560905
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229852
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62537092

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine (CID 43634406) is 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine is Cc1cccc(CNC2CC(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is WOLDDBOJMRIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13-3-2-4-14(9-13)12-20-18-10-16(11-18)15-5-7-17(19)8-6-15/h2-9,16,18,20H,10-12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine?
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 285.82 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 43634406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).