4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride

C15H23Cl2N — CID 69398314

IUPAC4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride
SMILESCNCCCCC1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-17-12-3-2-9-15(10-4-11-15)13-5-7-14(16)8-6-13;/h5-8,17H,2-4,9-12H2,1H3;1H
InChIKeyFPYLJTIDHNZVKQ-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.57
Rot. Bonds6

About 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride

4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride (PubChem CID 69398314) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride
PubChem CID69398314
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride
SMILESCNCCCCC1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-17-12-3-2-9-15(10-4-11-15)13-5-7-14(16)8-6-13;/h5-8,17H,2-4,9-12H2,1H3;1H
InChIKeyFPYLJTIDHNZVKQ-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride (CID 69398314) is 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride is CNCCCCC1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride?
The InChIKey is FPYLJTIDHNZVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN.ClH/c1-17-12-3-2-9-15(10-4-11-15)13-5-7-14(16)8-6-13;/h5-8,17H,2-4,9-12H2,1H3;1H.
What are the key properties of 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride?
4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride has a molecular weight of 288.26 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 69398314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).