4-(2-cyclohexylethoxy)aniline

C14H21NO — CID 15943048

IUPAC4-(2-cyclohexylethoxy)aniline
SMILESNc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C14H21NO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,15H2
InChIKeyKZIPKNLJWRDAKV-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.62
Rot. Bonds4

About 4-(2-cyclohexylethoxy)aniline

4-(2-cyclohexylethoxy)aniline (PubChem CID 15943048) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-cyclohexylethoxy)aniline.

Molecular Properties

Compound Name4-(2-cyclohexylethoxy)aniline
PubChem CID15943048
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(2-cyclohexylethoxy)aniline
SMILESNc1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C14H21NO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,15H2
InChIKeyKZIPKNLJWRDAKV-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethoxy)aniline?
The IUPAC name of 4-(2-cyclohexylethoxy)aniline (CID 15943048) is 4-(2-cyclohexylethoxy)aniline.
What is the SMILES notation for 4-(2-cyclohexylethoxy)aniline?
The canonical SMILES for 4-(2-cyclohexylethoxy)aniline is Nc1ccc(OCCC2CCCCC2)cc1.
What is the InChIKey of 4-(2-cyclohexylethoxy)aniline?
The InChIKey is KZIPKNLJWRDAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,15H2.
What are the key properties of 4-(2-cyclohexylethoxy)aniline?
4-(2-cyclohexylethoxy)aniline has a molecular weight of 219.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethoxy)aniline is sourced from PubChem (CID 15943048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).