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

C16H24Cl3N — CID 13083291

IUPAC1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride
SMILESCCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl
InChIInChI=1S/C16H23Cl2N.ClH/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;1H
InChIKeyDMHJRZJOCMUSLL-UHFFFAOYSA-N
MW336.73 g/mol
LogP5.57
Rot. Bonds5

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

1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride (PubChem CID 13083291) has the molecular formula C16H24Cl3N and a molecular weight of 336.73 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride
PubChem CID13083291
Molecular FormulaC16H24Cl3N
Molecular Weight336.73 g/mol
Exact Mass335.10
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride
SMILESCCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl
InChIInChI=1S/C16H23Cl2N.ClH/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;1H
InChIKeyDMHJRZJOCMUSLL-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.73
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride (CID 13083291) is 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride is CCCC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1.Cl.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride?
The InChIKey is DMHJRZJOCMUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N.ClH/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;1H.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride?
1-[1-(3,4-dichlorophenyl)cyclobutyl]-N,N-dimethylbutan-1-amine;hydrochloride has a molecular weight of 336.73 g/mol, XLogP of 5.57, 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;hydrochloride is sourced from PubChem (CID 13083291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).