3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine

C15H22ClN — CID 57115633

IUPAC3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClN/c1-17(2)12-4-11-15(9-3-10-15)13-5-7-14(16)8-6-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyHMGBVEIIIXLCMY-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.10
Rot. Bonds5

About 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine

3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine (PubChem CID 57115633) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
PubChem CID57115633
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClN/c1-17(2)12-4-11-15(9-3-10-15)13-5-7-14(16)8-6-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyHMGBVEIIIXLCMY-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-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]-N,N-dimethylmethanamine
CID 169436266
4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride
CID 69398314
4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
CID 69304082
4-[1-(4-chloro-2-fluorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine
CID 69397295
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine
CID 23292614
3-chloro-N-[2-[1-(4-chlorophenyl)cyclobutyl]ethyl]propan-1-amine
CID 150336913
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine;hydrochloride
CID 23292613
2-[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 16673943
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine (CID 57115633) is 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine?
The InChIKey is HMGBVEIIIXLCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-17(2)12-4-11-15(9-3-10-15)13-5-7-14(16)8-6-13/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine?
3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 57115633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).