5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline

C16H25NO2 — CID 43094706

IUPAC5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline
SMILESCCC1CCCCC1OCc1ccc(OC)c(N)c1
InChIInChI=1S/C16H25NO2/c1-3-13-6-4-5-7-15(13)19-11-12-8-9-16(18-2)14(17)10-12/h8-10,13,15H,3-7,11,17H2,1-2H3
InChIKeyWJQQDYJHHCPVBR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.76
Rot. Bonds5

About 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline

5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline (PubChem CID 43094706) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline
PubChem CID43094706
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline
SMILESCCC1CCCCC1OCc1ccc(OC)c(N)c1
InChIInChI=1S/C16H25NO2/c1-3-13-6-4-5-7-15(13)19-11-12-8-9-16(18-2)14(17)10-12/h8-10,13,15H,3-7,11,17H2,1-2H3
InChIKeyWJQQDYJHHCPVBR-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(2-ethylcyclohexyl)oxymethyl]-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

[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine
CID 62017257
5-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzonitrile
CID 114012388
5-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzoic acid
CID 107881104
[5-[(2-ethylcyclohexyl)oxymethyl]-2-pyridinyl]hydrazine
CID 62246411
4-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 63882514
2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43798165
[2-[(3-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 43329442
trans-(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexan-1-amine;hydrochloride
CID 68603153
5-[(2-ethylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 63576626
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine
CID 177331705
2-methoxy-5-[(2-methylcyclohexyl)oxymethyl]benzoic acid
CID 65339427

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline?
The IUPAC name of 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline (CID 43094706) is 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline?
The canonical SMILES for 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline is CCC1CCCCC1OCc1ccc(OC)c(N)c1.
What is the InChIKey of 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline?
The InChIKey is WJQQDYJHHCPVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-13-6-4-5-7-15(13)19-11-12-8-9-16(18-2)14(17)10-12/h8-10,13,15H,3-7,11,17H2,1-2H3.
What are the key properties of 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline?
5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline has a molecular weight of 263.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline is sourced from PubChem (CID 43094706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).