2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol

C13H21NO2 — CID 115133221

IUPAC2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
SMILESCOc1ccc(C)cc1N(C)C(C)(C)CO
InChIInChI=1S/C13H21NO2/c1-10-6-7-12(16-5)11(8-10)14(4)13(2,3)9-15/h6-8,15H,9H2,1-5H3
InChIKeyFASDDOMHYZAOGS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds4

About 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol

2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol (PubChem CID 115133221) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
PubChem CID115133221
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
SMILESCOc1ccc(C)cc1N(C)C(C)(C)CO
InChIInChI=1S/C13H21NO2/c1-10-6-7-12(16-5)11(8-10)14(4)13(2,3)9-15/h6-8,15H,9H2,1-5H3
InChIKeyFASDDOMHYZAOGS-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-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-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
CID 115133229
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
CID 115137383
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134117
2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol
CID 115133331
1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone
CID 113475776
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol (CID 115133221) is 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol is COc1ccc(C)cc1N(C)C(C)(C)CO.
What is the InChIKey of 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol?
The InChIKey is FASDDOMHYZAOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-6-7-12(16-5)11(8-10)14(4)13(2,3)9-15/h6-8,15H,9H2,1-5H3.
What are the key properties of 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol?
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 115133221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).