1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride

C11H16ClN — CID 71742697

IUPAC1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride
SMILESCc1ccc(C2(N)CCC2)cc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-9-3-5-10(6-4-9)11(12)7-2-8-11;/h3-6H,2,7-8,12H2,1H3;1H
InChIKeyCVZCXKNLYKJZMI-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.75
Rot. Bonds1

About 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride

1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride (PubChem CID 71742697) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride
PubChem CID71742697
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride
SMILESCc1ccc(C2(N)CCC2)cc1.Cl
InChIInChI=1S/C11H15N.ClH/c1-9-3-5-10(6-4-9)11(12)7-2-8-11;/h3-6H,2,7-8,12H2,1H3;1H
InChIKeyCVZCXKNLYKJZMI-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride (CID 71742697) is 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride is Cc1ccc(C2(N)CCC2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is CVZCXKNLYKJZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-9-3-5-10(6-4-9)11(12)7-2-8-11;/h3-6H,2,7-8,12H2,1H3;1H.
What are the key properties of 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride?
1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 71742697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).