2-(3-methylcyclohexyl)aniline

C13H19N — CID 15340119

IUPAC2-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(c2ccccc2N)C1
InChIInChI=1S/C13H19N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14/h2-3,7-8,10-11H,4-6,9,14H2,1H3
InChIKeyBFEPVDPVTBLAPY-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.56
Rot. Bonds1

About 2-(3-methylcyclohexyl)aniline

2-(3-methylcyclohexyl)aniline (PubChem CID 15340119) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)aniline
PubChem CID15340119
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(c2ccccc2N)C1
InChIInChI=1S/C13H19N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14/h2-3,7-8,10-11H,4-6,9,14H2,1H3
InChIKeyBFEPVDPVTBLAPY-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-(3-methylcyclohexyl)aniline (CID 15340119) is 2-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-(3-methylcyclohexyl)aniline is CC1CCCC(c2ccccc2N)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)aniline?
The InChIKey is BFEPVDPVTBLAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13(12)14/h2-3,7-8,10-11H,4-6,9,14H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)aniline?
2-(3-methylcyclohexyl)aniline has a molecular weight of 189.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 15340119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).