1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride

C15H23Cl2N — CID 21270241

IUPAC1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride
SMILESCC(C)CN(C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-12(2)11-17(3)15(9-4-10-15)13-5-7-14(16)8-6-13;/h5-8,12H,4,9-11H2,1-3H3;1H
InChIKeyVIEOLKRTBDZJJT-UHFFFAOYSA-N
MW288.26 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride

1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride (PubChem CID 21270241) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride
PubChem CID21270241
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride
SMILESCC(C)CN(C)C1(c2ccc(Cl)cc2)CCC1.Cl
InChIInChI=1S/C15H22ClN.ClH/c1-12(2)11-17(3)15(9-4-10-15)13-5-7-14(16)8-6-13;/h5-8,12H,4,9-11H2,1-3H3;1H
InChIKeyVIEOLKRTBDZJJT-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride (CID 21270241) is 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride is CC(C)CN(C)C1(c2ccc(Cl)cc2)CCC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is VIEOLKRTBDZJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN.ClH/c1-12(2)11-17(3)15(9-4-10-15)13-5-7-14(16)8-6-13;/h5-8,12H,4,9-11H2,1-3H3;1H.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride?
1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 288.26 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 21270241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).