3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride

C15H23Cl2N — CID 69399241

IUPAC3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride
SMILESCNCC(C)CC1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-12(11-17-2)10-15(8-3-9-15)13-4-6-14(16)7-5-13;/h4-7,12,17H,3,8-11H2,1-2H3;1H
InChIKeyWQPKWWUFGBXOHQ-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.43
Rot. Bonds5

About 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride

3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 69399241) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride
PubChem CID69399241
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride
SMILESCNCC(C)CC1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-12(11-17-2)10-15(8-3-9-15)13-4-6-14(16)7-5-13;/h4-7,12,17H,3,8-11H2,1-2H3;1H
InChIKeyWQPKWWUFGBXOHQ-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
CID 69304082
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
4-[1-(4-chlorophenyl)cyclobutyl]-N-methylbutan-1-amine;hydrochloride
CID 69398314
2-[[4-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl propanoate
CID 66824604
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111098220
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
CID 79451063
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride (CID 69399241) is 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride is CNCC(C)CC1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is WQPKWWUFGBXOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN.ClH/c1-12(11-17-2)10-15(8-3-9-15)13-4-6-14(16)7-5-13;/h4-7,12,17H,3,8-11H2,1-2H3;1H.
What are the key properties of 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride?
3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 288.26 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 69399241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).