2-cyclohexyl-6-methylaniline

C13H19N — CID 14534595

IUPAC2-cyclohexyl-6-methylaniline
SMILESCc1cccc(C2CCCCC2)c1N
InChIInChI=1S/C13H19N/c1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8,14H2,1H3
InChIKeyILRRRHXKLKGOCF-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.62
Rot. Bonds1

About 2-cyclohexyl-6-methylaniline

2-cyclohexyl-6-methylaniline (PubChem CID 14534595) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-cyclohexyl-6-methylaniline.

Molecular Properties

Compound Name2-cyclohexyl-6-methylaniline
PubChem CID14534595
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-cyclohexyl-6-methylaniline
SMILESCc1cccc(C2CCCCC2)c1N
InChIInChI=1S/C13H19N/c1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8,14H2,1H3
InChIKeyILRRRHXKLKGOCF-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-cyclohexyl-6-methylaniline?
The IUPAC name of 2-cyclohexyl-6-methylaniline (CID 14534595) is 2-cyclohexyl-6-methylaniline.
What is the SMILES notation for 2-cyclohexyl-6-methylaniline?
The canonical SMILES for 2-cyclohexyl-6-methylaniline is Cc1cccc(C2CCCCC2)c1N.
What is the InChIKey of 2-cyclohexyl-6-methylaniline?
The InChIKey is ILRRRHXKLKGOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-6-5-9-12(13(10)14)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8,14H2,1H3.
What are the key properties of 2-cyclohexyl-6-methylaniline?
2-cyclohexyl-6-methylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-methylaniline is sourced from PubChem (CID 14534595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).