1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride

C17H27Cl2NO — CID 19823714

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride
SMILESCCC(C)(O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C17H26ClNO.ClH/c1-5-16(2,20)15(19(3)4)17(11-6-12-17)13-7-9-14(18)10-8-13;/h7-10,15,20H,5-6,11-12H2,1-4H3;1H
InChIKeyGNBHBNZSGKIHQQ-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.27
Rot. Bonds5

About 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride

1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride (PubChem CID 19823714) has the molecular formula C17H27Cl2NO and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride
PubChem CID19823714
Molecular FormulaC17H27Cl2NO
Molecular Weight332.32 g/mol
Exact Mass331.15
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride
SMILESCCC(C)(O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C17H26ClNO.ClH/c1-5-16(2,20)15(19(3)4)17(11-6-12-17)13-7-9-14(18)10-8-13;/h7-10,15,20H,5-6,11-12H2,1-4H3;1H
InChIKeyGNBHBNZSGKIHQQ-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride (CID 19823714) is 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride is CCC(C)(O)C(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride?
The InChIKey is GNBHBNZSGKIHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO.ClH/c1-5-16(2,20)15(19(3)4)17(11-6-12-17)13-7-9-14(18)10-8-13;/h7-10,15,20H,5-6,11-12H2,1-4H3;1H.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride?
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride has a molecular weight of 332.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 19823714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).