2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine

C13H15N — CID 167158849

IUPAC2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine
SMILESCc1ccccc1C1=C(N)C=CCC1
InChIInChI=1S/C13H15N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-3,5-7,9H,4,8,14H2,1H3
InChIKeyKKRZNELEAOBERI-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.01
Rot. Bonds1

About 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine

2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine (PubChem CID 167158849) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine
PubChem CID167158849
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine
SMILESCc1ccccc1C1=C(N)C=CCC1
InChIInChI=1S/C13H15N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-3,5-7,9H,4,8,14H2,1H3
InChIKeyKKRZNELEAOBERI-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine (CID 167158849) is 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine is Cc1ccccc1C1=C(N)C=CCC1.
What is the InChIKey of 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is KKRZNELEAOBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14/h2-3,5-7,9H,4,8,14H2,1H3.
What are the key properties of 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine?
2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 185.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 167158849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).