5-(3-ethylcyclohexyl)oxy-2-methoxyaniline

C15H23NO2 — CID 103201492

IUPAC5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
SMILESCCC1CCCC(Oc2ccc(OC)c(N)c2)C1
InChIInChI=1S/C15H23NO2/c1-3-11-5-4-6-12(9-11)18-13-7-8-15(17-2)14(16)10-13/h7-8,10-12H,3-6,9,16H2,1-2H3
InChIKeyMPTZMXBMHZOUHX-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.62
Rot. Bonds4

About 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline

5-(3-ethylcyclohexyl)oxy-2-methoxyaniline (PubChem CID 103201492) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline.

Molecular Properties

Compound Name5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
PubChem CID103201492
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-(3-ethylcyclohexyl)oxy-2-methoxyaniline
SMILESCCC1CCCC(Oc2ccc(OC)c(N)c2)C1
InChIInChI=1S/C15H23NO2/c1-3-11-5-4-6-12(9-11)18-13-7-8-15(17-2)14(16)10-13/h7-8,10-12H,3-6,9,16H2,1-2H3
InChIKeyMPTZMXBMHZOUHX-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
CID 83000173
3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
CID 80752534
2-chloro-4-cyclobutyloxy-1-methoxybenzene
CID 130057041
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
1-butan-2-yl-4-(3-ethylcyclohexyl)oxybenzene
CID 107669082
4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205
1-[4-(3-ethylcyclohexyl)oxyphenyl]propan-2-one
CID 115495306
4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
CID 113368158
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
3-(3-ethylcyclohexyl)oxy-5-methylphenol
CID 107680285

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline?
The IUPAC name of 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline (CID 103201492) is 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline.
What is the SMILES notation for 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline?
The canonical SMILES for 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline is CCC1CCCC(Oc2ccc(OC)c(N)c2)C1.
What is the InChIKey of 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline?
The InChIKey is MPTZMXBMHZOUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-11-5-4-6-12(9-11)18-13-7-8-15(17-2)14(16)10-13/h7-8,10-12H,3-6,9,16H2,1-2H3.
What are the key properties of 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline?
5-(3-ethylcyclohexyl)oxy-2-methoxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylcyclohexyl)oxy-2-methoxyaniline is sourced from PubChem (CID 103201492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).