3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol

C15H25NO4 — CID 79254161

IUPAC3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
SMILESCOc1ccc(CNC(CO)C(C)C)c(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-10(2)12(9-17)16-8-11-6-7-13(18-3)15(20-5)14(11)19-4/h6-7,10,12,16-17H,8-9H2,1-5H3
InChIKeyHEKLTHNJVWKZAR-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.82
Rot. Bonds8

About 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol

3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol (PubChem CID 79254161) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
PubChem CID79254161
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
SMILESCOc1ccc(CNC(CO)C(C)C)c(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-10(2)12(9-17)16-8-11-6-7-13(18-3)15(20-5)14(11)19-4/h6-7,10,12,16-17H,8-9H2,1-5H3
InChIKeyHEKLTHNJVWKZAR-UHFFFAOYSA-N
XLogP1.82
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-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-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836
3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 63842268
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254885
1-ethylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-2-amine
CID 115660743
1-(2,5-dimethylthiophen-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 86931333
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
2-[(2,3,4-trimethoxyphenyl)methylamino]pentanoic acid
CID 65054790

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol (CID 79254161) is 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol is COc1ccc(CNC(CO)C(C)C)c(OC)c1OC.
What is the InChIKey of 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is HEKLTHNJVWKZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(2)12(9-17)16-8-11-6-7-13(18-3)15(20-5)14(11)19-4/h6-7,10,12,16-17H,8-9H2,1-5H3.
What are the key properties of 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol?
3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 79254161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).