1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine

C15H22ClN — CID 13083237

IUPAC1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine
SMILESCCCC(N)C1(c2ccc(C)c(Cl)c2)CCC1
InChIInChI=1S/C15H22ClN/c1-3-5-14(17)15(8-4-9-15)12-7-6-11(2)13(16)10-12/h6-7,10,14H,3-5,8-9,17H2,1-2H3
InChIKeyJOXVRGVWMSZSIQ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.20
Rot. Bonds4

About 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine

1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine (PubChem CID 13083237) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine
PubChem CID13083237
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine
SMILESCCCC(N)C1(c2ccc(C)c(Cl)c2)CCC1
InChIInChI=1S/C15H22ClN/c1-3-5-14(17)15(8-4-9-15)12-7-6-11(2)13(16)10-12/h6-7,10,14H,3-5,8-9,17H2,1-2H3
InChIKeyJOXVRGVWMSZSIQ-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-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

1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride
CID 19823772
1-[1-(3-chloro-4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
CID 137333011
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
CID 107560263
1-(3-chloro-4-methylphenyl)cyclopropan-1-ol
CID 63195490
1-(3-chloro-4-methylphenyl)-3-ethylcyclohexan-1-amine
CID 107559775
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
CID 171262306
(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
CID 59908351
4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol
CID 107559480
1-(3-chloro-4-methylphenyl)-2-ethylcyclohexan-1-ol
CID 107559539
1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine
CID 107559783

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine?
The IUPAC name of 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine (CID 13083237) is 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine.
What is the SMILES notation for 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine?
The canonical SMILES for 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine is CCCC(N)C1(c2ccc(C)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine?
The InChIKey is JOXVRGVWMSZSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-5-14(17)15(8-4-9-15)12-7-6-11(2)13(16)10-12/h6-7,10,14H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine?
1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-methylphenyl)cyclobutyl]butan-1-amine is sourced from PubChem (CID 13083237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).