3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol

C15H25NO2 — CID 115133837

IUPAC3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol
SMILESCOc1c(C)cc(NC(C)(C)CCO)c(C)c1C
InChIInChI=1S/C15H25NO2/c1-10-9-13(16-15(4,5)7-8-17)11(2)12(3)14(10)18-6/h9,16-17H,7-8H2,1-6H3
InChIKeyOPIRTSAUSGUKRJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.19
Rot. Bonds5

About 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol

3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol (PubChem CID 115133837) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol
PubChem CID115133837
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol
SMILESCOc1c(C)cc(NC(C)(C)CCO)c(C)c1C
InChIInChI=1S/C15H25NO2/c1-10-9-13(16-15(4,5)7-8-17)11(2)12(3)14(10)18-6/h9,16-17H,7-8H2,1-6H3
InChIKeyOPIRTSAUSGUKRJ-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.19
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-(4-methoxy-2,3,5-trimethylanilino)-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

3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
CID 115134064
2-(4-methoxy-2,3,5-trimethylanilino)-2-methylpropanoic acid
CID 115127764
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
CID 96676162
3-(4-methoxy-2,3,5-trimethylanilino)propane-1-thiol
CID 115224602
3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol
CID 115133840
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
2-amino-3-(4-methoxy-2,3,5-trimethylanilino)propanoic acid
CID 115240470
2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide
CID 115186351
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
CID 115206741

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol?
The IUPAC name of 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol (CID 115133837) is 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol?
The canonical SMILES for 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol is COc1c(C)cc(NC(C)(C)CCO)c(C)c1C.
What is the InChIKey of 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol?
The InChIKey is OPIRTSAUSGUKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-9-13(16-15(4,5)7-8-17)11(2)12(3)14(10)18-6/h9,16-17H,7-8H2,1-6H3.
What are the key properties of 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol?
3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 115133837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).