3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine

C14H20ClN — CID 174659532

IUPAC3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
SMILESCC(CN)CC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H20ClN/c1-11(10-16)9-14(7-2-8-14)12-3-5-13(15)6-4-12/h3-6,11H,2,7-10,16H2,1H3
InChIKeyZRRSXNMZXWGCJP-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.75
Rot. Bonds4

About 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine

3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine (PubChem CID 174659532) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
PubChem CID174659532
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
SMILESCC(CN)CC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H20ClN/c1-11(10-16)9-14(7-2-8-14)12-3-5-13(15)6-4-12/h3-6,11H,2,7-10,16H2,1H3
InChIKeyZRRSXNMZXWGCJP-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-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]propan-2-amine
CID 13083334
3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride
CID 69399241
4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
CID 69304082
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
2-[[4-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl propanoate
CID 66824604
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
CID 79451063
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111098220

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine (CID 174659532) is 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine is CC(CN)CC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine?
The InChIKey is ZRRSXNMZXWGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(10-16)9-14(7-2-8-14)12-3-5-13(15)6-4-12/h3-6,11H,2,7-10,16H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine?
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine is sourced from PubChem (CID 174659532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).