1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine

C16H23Cl2N — CID 13083290

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine
SMILESCCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H23Cl2N/c1-4-6-15(19(2)3)16(9-5-10-16)12-7-8-13(17)14(18)11-12/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyBYTICPBAUQHXPJ-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.15
Rot. Bonds5

About 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine

1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine (PubChem CID 13083290) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine
PubChem CID13083290
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine
SMILESCCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H23Cl2N/c1-4-6-15(19(2)3)16(9-5-10-16)12-7-8-13(17)14(18)11-12/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKeyBYTICPBAUQHXPJ-UHFFFAOYSA-N
XLogP5.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-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

Sibutramine
CID 5210
Sibutramine Hydrochloride
CID 64764
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
Meridia
CID 64765
(2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-ethyl]-methyl-amine
CID 5026275
1-Pyrrolidineethanamine, N-(2-(3,4-dichlorophenyl)ethyl)-N-ethyl-
CID 9796923
[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(1-methyl-2-pyrrolidin-1-yl-ethyl)-amine
CID 15113312
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
1-Butyl-4-[2-(3,4-dichloro-phenyl)-ethyl]-piperazine
CID 44313950
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-N-methylethanamine
CID 53317143
1-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-4-methylpiperazine
CID 53317144

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine (CID 13083290) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine is CCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine?
The InChIKey is BYTICPBAUQHXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-4-6-15(19(2)3)16(9-5-10-16)12-7-8-13(17)14(18)11-12/h7-8,11,15H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 13083290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).