3-(cyclohexylmethoxy)-5-ethoxyaniline

C15H23NO2 — CID 80748419

IUPAC3-(cyclohexylmethoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(OCC2CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-2-17-14-8-13(16)9-15(10-14)18-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11,16H2,1H3
InChIKeyHYHYZFMNIKPGBV-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.63
Rot. Bonds5

About 3-(cyclohexylmethoxy)-5-ethoxyaniline

3-(cyclohexylmethoxy)-5-ethoxyaniline (PubChem CID 80748419) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-5-ethoxyaniline.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-5-ethoxyaniline
PubChem CID80748419
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(cyclohexylmethoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(OCC2CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-2-17-14-8-13(16)9-15(10-14)18-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11,16H2,1H3
InChIKeyHYHYZFMNIKPGBV-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
3-(cyclohexylmethoxy)-5-methylaniline
CID 112648470
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
3,5-diethoxyaniline
CID 22605063
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
3-(cyclopentylmethylsulfanyl)-5-ethoxyaniline
CID 80736591
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
CID 69097440
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 80725295
3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 107397110
(3-propoxyphenoxy)methylcyclooctane
CID 69097441

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-5-ethoxyaniline?
The IUPAC name of 3-(cyclohexylmethoxy)-5-ethoxyaniline (CID 80748419) is 3-(cyclohexylmethoxy)-5-ethoxyaniline.
What is the SMILES notation for 3-(cyclohexylmethoxy)-5-ethoxyaniline?
The canonical SMILES for 3-(cyclohexylmethoxy)-5-ethoxyaniline is CCOc1cc(N)cc(OCC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylmethoxy)-5-ethoxyaniline?
The InChIKey is HYHYZFMNIKPGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-17-14-8-13(16)9-15(10-14)18-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11,16H2,1H3.
What are the key properties of 3-(cyclohexylmethoxy)-5-ethoxyaniline?
3-(cyclohexylmethoxy)-5-ethoxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-5-ethoxyaniline is sourced from PubChem (CID 80748419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).