[3-(2,5-dimethylphenyl)cyclobutyl]methanamine

C13H19N — CID 83636717

IUPAC[3-(2,5-dimethylphenyl)cyclobutyl]methanamine
SMILESCc1ccc(C)c(C2CC(CN)C2)c1
InChIInChI=1S/C13H19N/c1-9-3-4-10(2)13(5-9)12-6-11(7-12)8-14/h3-5,11-12H,6-8,14H2,1-2H3
InChIKeyGTOCVMXSHJHBNP-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.76
Rot. Bonds2

About [3-(2,5-dimethylphenyl)cyclobutyl]methanamine

[3-(2,5-dimethylphenyl)cyclobutyl]methanamine (PubChem CID 83636717) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)cyclobutyl]methanamine
PubChem CID83636717
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name[3-(2,5-dimethylphenyl)cyclobutyl]methanamine
SMILESCc1ccc(C)c(C2CC(CN)C2)c1
InChIInChI=1S/C13H19N/c1-9-3-4-10(2)13(5-9)12-6-11(7-12)8-14/h3-5,11-12H,6-8,14H2,1-2H3
InChIKeyGTOCVMXSHJHBNP-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)cyclobutyl]methanamine?
The IUPAC name of [3-(2,5-dimethylphenyl)cyclobutyl]methanamine (CID 83636717) is [3-(2,5-dimethylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [3-(2,5-dimethylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [3-(2,5-dimethylphenyl)cyclobutyl]methanamine is Cc1ccc(C)c(C2CC(CN)C2)c1.
What is the InChIKey of [3-(2,5-dimethylphenyl)cyclobutyl]methanamine?
The InChIKey is GTOCVMXSHJHBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-3-4-10(2)13(5-9)12-6-11(7-12)8-14/h3-5,11-12H,6-8,14H2,1-2H3.
What are the key properties of [3-(2,5-dimethylphenyl)cyclobutyl]methanamine?
[3-(2,5-dimethylphenyl)cyclobutyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 83636717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).