2-(4-aminocyclohexyl)oxyaniline

C12H18N2O — CID 117095465

IUPAC2-(4-aminocyclohexyl)oxyaniline
SMILESNc1ccccc1OC1CCC(N)CC1
InChIInChI=1S/C12H18N2O/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-4,9-10H,5-8,13-14H2
InChIKeyGSZBXFHGEXHVSL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.92
Rot. Bonds2

About 2-(4-aminocyclohexyl)oxyaniline

2-(4-aminocyclohexyl)oxyaniline (PubChem CID 117095465) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxyaniline.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxyaniline
PubChem CID117095465
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(4-aminocyclohexyl)oxyaniline
SMILESNc1ccccc1OC1CCC(N)CC1
InChIInChI=1S/C12H18N2O/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-4,9-10H,5-8,13-14H2
InChIKeyGSZBXFHGEXHVSL-UHFFFAOYSA-N
XLogP1.92
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-aminocyclohexyl)oxyaniline?
The IUPAC name of 2-(4-aminocyclohexyl)oxyaniline (CID 117095465) is 2-(4-aminocyclohexyl)oxyaniline.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxyaniline?
The canonical SMILES for 2-(4-aminocyclohexyl)oxyaniline is Nc1ccccc1OC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)oxyaniline?
The InChIKey is GSZBXFHGEXHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-4,9-10H,5-8,13-14H2.
What are the key properties of 2-(4-aminocyclohexyl)oxyaniline?
2-(4-aminocyclohexyl)oxyaniline has a molecular weight of 206.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxyaniline is sourced from PubChem (CID 117095465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).