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

C16H24ClN — CID 10199199

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H24ClN/c1-12(2)11-15(18-3)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,15,18H,4,9-11H2,1-3H3
InChIKeyPLXKZKLXYHLWHR-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.40
Rot. Bonds5

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

1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine (PubChem CID 10199199) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine
PubChem CID10199199
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H24ClN/c1-12(2)11-15(18-3)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,15,18H,4,9-11H2,1-3H3
InChIKeyPLXKZKLXYHLWHR-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine (CID 10199199) is 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine is CNC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine?
The InChIKey is PLXKZKLXYHLWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12(2)11-15(18-3)16(9-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,15,18H,4,9-11H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 10199199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).