1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol

C11H18N2O3 — CID 117325570

IUPAC1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(N)c(OC)c1
InChIInChI=1S/C11H18N2O3/c1-13-6-8(14)7-4-9(15-2)11(12)10(5-7)16-3/h4-5,8,13-14H,6,12H2,1-3H3
InChIKeyRSVLZPZFKYFYFF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.54
Rot. Bonds5

About 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol

1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol (PubChem CID 117325570) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
PubChem CID117325570
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(N)c(OC)c1
InChIInChI=1S/C11H18N2O3/c1-13-6-8(14)7-4-9(15-2)11(12)10(5-7)16-3/h4-5,8,13-14H,6,12H2,1-3H3
InChIKeyRSVLZPZFKYFYFF-UHFFFAOYSA-N
XLogP0.54
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol
CID 84783811
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethoxybenzaldehyde
CID 117350636
1-(4-amino-3,5-dimethoxyphenyl)-2-methylsulfonylethanol
CID 54306476
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 117333852
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol (CID 117325570) is 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(OC)c(N)c(OC)c1.
What is the InChIKey of 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol?
The InChIKey is RSVLZPZFKYFYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13-6-8(14)7-4-9(15-2)11(12)10(5-7)16-3/h4-5,8,13-14H,6,12H2,1-3H3.
What are the key properties of 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol?
1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol has a molecular weight of 226.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117325570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).