1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol

C15H25NO3 — CID 111118479

IUPAC1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCOc1cccc(CNCC(C)(O)C(C)C)c1OC
InChIInChI=1S/C15H25NO3/c1-11(2)15(3,17)10-16-9-12-7-6-8-13(18-4)14(12)19-5/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyFHIWWJFRWFREDM-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds7

About 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol

1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 111118479) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol
PubChem CID111118479
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCOc1cccc(CNCC(C)(O)C(C)C)c1OC
InChIInChI=1S/C15H25NO3/c1-11(2)15(3,17)10-16-9-12-7-6-8-13(18-4)14(12)19-5/h6-8,11,16-17H,9-10H2,1-5H3
InChIKeyFHIWWJFRWFREDM-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2,3-dimethoxyphenyl)methylamino]-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

1-[(2,3-dimethoxyphenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66179073
1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 111118493
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2,2,3-trimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]butan-1-amine
CID 102610003
2-[(2,3-dimethoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400002
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
CID 96915436
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
CID 59317356
CID 59317356

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol (CID 111118479) is 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol is COc1cccc(CNCC(C)(O)C(C)C)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is FHIWWJFRWFREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)15(3,17)10-16-9-12-7-6-8-13(18-4)14(12)19-5/h6-8,11,16-17H,9-10H2,1-5H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol?
1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 111118479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).