2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol

C15H25NO4 — CID 115644564

IUPAC2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
SMILESCOc1cc(OC)c(OC)cc1CNC(C)C(C)CO
InChIInChI=1S/C15H25NO4/c1-10(9-17)11(2)16-8-12-6-14(19-4)15(20-5)7-13(12)18-3/h6-7,10-11,16-17H,8-9H2,1-5H3
InChIKeyGGTTXQJEFPRVPD-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.82
Rot. Bonds8

About 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol

2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol (PubChem CID 115644564) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
PubChem CID115644564
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
SMILESCOc1cc(OC)c(OC)cc1CNC(C)C(C)CO
InChIInChI=1S/C15H25NO4/c1-10(9-17)11(2)16-8-12-6-14(19-4)15(20-5)7-13(12)18-3/h6-7,10-11,16-17H,8-9H2,1-5H3
InChIKeyGGTTXQJEFPRVPD-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 2-methyl-3-[(2,4,5-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

(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 40726834
4-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103701021
1-phenyl-2-[(2,4,5-trimethoxyphenyl)methylamino]propan-1-ol
CID 667229
2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
CID 111448648
3,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-2-amine
CID 115623175
2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
CID 111467132
3-[(3-fluoro-4-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 111448490
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 115644565
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
N-[(2,4,5-trimethoxyphenyl)methyl]hexan-2-amine
CID 62198160
3-[(2,5-difluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448600
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol (CID 115644564) is 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol is COc1cc(OC)c(OC)cc1CNC(C)C(C)CO.
What is the InChIKey of 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is GGTTXQJEFPRVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(9-17)11(2)16-8-12-6-14(19-4)15(20-5)7-13(12)18-3/h6-7,10-11,16-17H,8-9H2,1-5H3.
What are the key properties of 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol?
2-methyl-3-[(2,4,5-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 2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 115644564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).