3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol

C14H23NO3 — CID 65337928

IUPAC3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
SMILESCCOc1cc(NC(C)C(C)(C)O)ccc1OC
InChIInChI=1S/C14H23NO3/c1-6-18-13-9-11(7-8-12(13)17-5)15-10(2)14(3,4)16/h7-10,15-16H,6H2,1-5H3
InChIKeyZBKBBLJPNGIWGW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.67
Rot. Bonds6

About 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol

3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol (PubChem CID 65337928) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
PubChem CID65337928
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
SMILESCCOc1cc(NC(C)C(C)(C)O)ccc1OC
InChIInChI=1S/C14H23NO3/c1-6-18-13-9-11(7-8-12(13)17-5)15-10(2)14(3,4)16/h7-10,15-16H,6H2,1-5H3
InChIKeyZBKBBLJPNGIWGW-UHFFFAOYSA-N
XLogP2.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol 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-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
2-(3-ethoxy-4-methoxyanilino)butanoic acid
CID 115352840
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
CID 103388467
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
3-ethoxy-4-methoxy-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917806
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline
CID 83952039
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol?
The IUPAC name of 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol (CID 65337928) is 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol is CCOc1cc(NC(C)C(C)(C)O)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol?
The InChIKey is ZBKBBLJPNGIWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-18-13-9-11(7-8-12(13)17-5)15-10(2)14(3,4)16/h7-10,15-16H,6H2,1-5H3.
What are the key properties of 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol?
3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 65337928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).