1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine

C13H18ClN — CID 169436266

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H18ClN/c1-15(2)10-13(8-3-9-13)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyWJIVOWUEFSDGOJ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.32
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine

1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine (PubChem CID 169436266) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
PubChem CID169436266
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H18ClN/c1-15(2)10-13(8-3-9-13)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3
InChIKeyWJIVOWUEFSDGOJ-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine
CID 23292614
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-N-methylcyclopentanamine;hydrochloride
CID 23292613
3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
CID 57115633
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
N,N-dimethyl-1-(1-phenylcyclopentyl)methanamine
CID 646439
1-[1-(4-fluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53324333
1-[1-(3,4-difluorophenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 53321081
N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine
CID 89111935

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine (CID 169436266) is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine is CN(C)CC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine?
The InChIKey is WJIVOWUEFSDGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-15(2)10-13(8-3-9-13)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine?
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 169436266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).