3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol

C14H23NO2 — CID 115133823

IUPAC3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol
SMILESCCc1cc(NC(C)(C)CCO)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-11-10-12(6-7-13(11)17-4)15-14(2,3)8-9-16/h6-7,10,15-16H,5,8-9H2,1-4H3
InChIKeyZZHBLSCEZCKMAD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.83
Rot. Bonds6

About 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol

3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol (PubChem CID 115133823) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol
PubChem CID115133823
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol
SMILESCCc1cc(NC(C)(C)CCO)ccc1OC
InChIInChI=1S/C14H23NO2/c1-5-11-10-12(6-7-13(11)17-4)15-14(2,3)8-9-16/h6-7,10,15-16H,5,8-9H2,1-4H3
InChIKeyZZHBLSCEZCKMAD-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-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

2-(3-ethyl-4-methoxyanilino)acetonitrile
CID 115130737
3-(3-ethyl-4-methoxyanilino)propanoic acid
CID 98783832
methyl 2-[(3-ethyl-4-methoxyanilino)methyl]butanoate
CID 115252994
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
2-[(3-ethyl-4-methoxyanilino)methyl]-3-methylbutanoic acid
CID 115250189
3-N-(3-bromo-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115134422
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
4-(3-ethyl-4-methoxyanilino)butanoic acid
CID 115218434
1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754626
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
1-cyano-N-(3-ethyl-4-methoxyphenyl)formamide
CID 115171848
2-(5-chloro-2-methoxyphenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945956

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol?
The IUPAC name of 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol (CID 115133823) is 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol?
The canonical SMILES for 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol is CCc1cc(NC(C)(C)CCO)ccc1OC.
What is the InChIKey of 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol?
The InChIKey is ZZHBLSCEZCKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-11-10-12(6-7-13(11)17-4)15-14(2,3)8-9-16/h6-7,10,15-16H,5,8-9H2,1-4H3.
What are the key properties of 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol?
3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methoxyanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 115133823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).