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

C16H25Cl2N — CID 11301090

IUPAC(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride
SMILESCN[C@@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C16H24ClN.ClH/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;1H/t15-;/m0./s1
InChIKeyOUVFHVJVFLFXPQ-RSAXXLAASA-N
MW302.29 g/mol
LogP4.82
Rot. Bonds5

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

(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride (PubChem CID 11301090) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride
PubChem CID11301090
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride
SMILESCN[C@@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C16H24ClN.ClH/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;1H/t15-;/m0./s1
InChIKeyOUVFHVJVFLFXPQ-RSAXXLAASA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride (CID 11301090) is (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride is CN[C@@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride?
The InChIKey is OUVFHVJVFLFXPQ-RSAXXLAASA-N. The full InChI is InChI=1S/C16H24ClN.ClH/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;1H/t15-;/m0./s1.
What are the key properties of (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride?
(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride has a molecular weight of 302.29 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride is sourced from PubChem (CID 11301090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).