[3-(4-methylphenyl)cyclobutyl]methanamine

C12H17N — CID 83635912

IUPAC[3-(4-methylphenyl)cyclobutyl]methanamine
SMILESCc1ccc(C2CC(CN)C2)cc1
InChIInChI=1S/C12H17N/c1-9-2-4-11(5-3-9)12-6-10(7-12)8-13/h2-5,10,12H,6-8,13H2,1H3
InChIKeyGGMYOFCFISXKSM-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.45
Rot. Bonds2

About [3-(4-methylphenyl)cyclobutyl]methanamine

[3-(4-methylphenyl)cyclobutyl]methanamine (PubChem CID 83635912) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is [3-(4-methylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-(4-methylphenyl)cyclobutyl]methanamine
PubChem CID83635912
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name[3-(4-methylphenyl)cyclobutyl]methanamine
SMILESCc1ccc(C2CC(CN)C2)cc1
InChIInChI=1S/C12H17N/c1-9-2-4-11(5-3-9)12-6-10(7-12)8-13/h2-5,10,12H,6-8,13H2,1H3
InChIKeyGGMYOFCFISXKSM-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)cyclobutyl]methanamine?
The IUPAC name of [3-(4-methylphenyl)cyclobutyl]methanamine (CID 83635912) is [3-(4-methylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [3-(4-methylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [3-(4-methylphenyl)cyclobutyl]methanamine is Cc1ccc(C2CC(CN)C2)cc1.
What is the InChIKey of [3-(4-methylphenyl)cyclobutyl]methanamine?
The InChIKey is GGMYOFCFISXKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-2-4-11(5-3-9)12-6-10(7-12)8-13/h2-5,10,12H,6-8,13H2,1H3.
What are the key properties of [3-(4-methylphenyl)cyclobutyl]methanamine?
[3-(4-methylphenyl)cyclobutyl]methanamine has a molecular weight of 175.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 83635912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).