3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol

C14H23NO3 — CID 115122296

IUPAC3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol
SMILESCOc1cc(C)c(C)cc1CCNCC(O)CO
InChIInChI=1S/C14H23NO3/c1-10-6-12(14(18-3)7-11(10)2)4-5-15-8-13(17)9-16/h6-7,13,15-17H,4-5,8-9H2,1-3H3
InChIKeyQENHNZFVZMWXCM-UHFFFAOYSA-N
MW253.34 g/mol
LogP0.80
Rot. Bonds7

About 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol

3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol (PubChem CID 115122296) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol
PubChem CID115122296
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol
SMILESCOc1cc(C)c(C)cc1CCNCC(O)CO
InChIInChI=1S/C14H23NO3/c1-10-6-12(14(18-3)7-11(10)2)4-5-15-8-13(17)9-16/h6-7,13,15-17H,4-5,8-9H2,1-3H3
InChIKeyQENHNZFVZMWXCM-UHFFFAOYSA-N
XLogP0.80
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol 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

3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
CID 115120814
3-[2-(3,4,5-trimethoxyphenyl)ethylamino]propane-1,2-diol
CID 70584984
3-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122359
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
3-[2-(5-bromo-2-methylphenyl)ethylamino]propane-1,2-diol
CID 115122353
2-[[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]methyl]butanenitrile
CID 115254023
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122097
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
3-hydroxy-4-[2-(2-methoxy-5-methylphenyl)ethylamino]butanoic acid
CID 115123097

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol (CID 115122296) is 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol is COc1cc(C)c(C)cc1CCNCC(O)CO.
What is the InChIKey of 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol?
The InChIKey is QENHNZFVZMWXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-6-12(14(18-3)7-11(10)2)4-5-15-8-13(17)9-16/h6-7,13,15-17H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol?
3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol has a molecular weight of 253.34 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 115122296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).