1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol

C15H25NO2 — CID 102905135

IUPAC1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
SMILESCOCCc1ccccc1NCC(C)(O)C(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)15(3,17)11-16-14-8-6-5-7-13(14)9-10-18-4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyMMQZSPOBAVFQIO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.69
Rot. Bonds7

About 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol

1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol (PubChem CID 102905135) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
PubChem CID102905135
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
SMILESCOCCc1ccccc1NCC(C)(O)C(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)15(3,17)11-16-14-8-6-5-7-13(14)9-10-18-4/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyMMQZSPOBAVFQIO-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-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

2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
CID 102906431
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
CID 107446264
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
CID 103370255

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol (CID 102905135) is 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol is COCCc1ccccc1NCC(C)(O)C(C)C.
What is the InChIKey of 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol?
The InChIKey is MMQZSPOBAVFQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)15(3,17)11-16-14-8-6-5-7-13(14)9-10-18-4/h5-8,12,16-17H,9-11H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol?
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 102905135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).