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

C15H25NO4 — CID 62816210

IUPAC2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol
SMILESCOc1cc(CNC(C)C(C)(C)O)cc(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-10(15(2,3)17)16-9-11-7-12(18-4)14(20-6)13(8-11)19-5/h7-8,10,16-17H,9H2,1-6H3
InChIKeyMOEPSAFNMYERBU-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.96
Rot. Bonds7

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

2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol (PubChem CID 62816210) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol
PubChem CID62816210
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol
SMILESCOc1cc(CNC(C)C(C)(C)O)cc(OC)c1OC
InChIInChI=1S/C15H25NO4/c1-10(15(2,3)17)16-9-11-7-12(18-4)14(20-6)13(8-11)19-5/h7-8,10,16-17H,9H2,1-6H3
InChIKeyMOEPSAFNMYERBU-UHFFFAOYSA-N
XLogP1.96
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
methyl 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 134162229
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827758
1-(4-fluorophenyl)-2,2-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 119127152
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
2-amino-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 61265652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol (CID 62816210) is 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol is COc1cc(CNC(C)C(C)(C)O)cc(OC)c1OC.
What is the InChIKey of 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol?
The InChIKey is MOEPSAFNMYERBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(15(2,3)17)16-9-11-7-12(18-4)14(20-6)13(8-11)19-5/h7-8,10,16-17H,9H2,1-6H3.
What are the key properties of 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol?
2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 62816210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).