1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol

C15H25NO2 — CID 98016298

IUPAC1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(CCNCC(C)(C)O)c(C)c1C
InChIInChI=1S/C15H25NO2/c1-11-12(2)14(18-5)7-6-13(11)8-9-16-10-15(3,4)17/h6-7,16-17H,8-10H2,1-5H3
InChIKeyXIANIUPXNIVJFG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.22
Rot. Bonds6

About 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol

1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol (PubChem CID 98016298) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol
PubChem CID98016298
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(CCNCC(C)(C)O)c(C)c1C
InChIInChI=1S/C15H25NO2/c1-11-12(2)14(18-5)7-6-13(11)8-9-16-10-15(3,4)17/h6-7,16-17H,8-10H2,1-5H3
InChIKeyXIANIUPXNIVJFG-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-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

4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]ethanethiol
CID 115224240
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128091
3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214290
1-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butane-1,3-diamine
CID 115199539
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
2-methyl-1-N-[2-(2,3,4-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136210
4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
CID 142979716
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol (CID 98016298) is 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol is COc1ccc(CCNCC(C)(C)O)c(C)c1C.
What is the InChIKey of 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is XIANIUPXNIVJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-12(2)14(18-5)7-6-13(11)8-9-16-10-15(3,4)17/h6-7,16-17H,8-10H2,1-5H3.
What are the key properties of 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol?
1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 98016298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).