2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol

C12H19NO3 — CID 97179200

IUPAC2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
SMILESCCOc1ccc(OC)cc1CNCCO
InChIInChI=1S/C12H19NO3/c1-3-16-12-5-4-11(15-2)8-10(12)9-13-6-7-14/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyRYEOYINCWJYODO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.18
Rot. Bonds7

About 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol

2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol (PubChem CID 97179200) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
PubChem CID97179200
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
SMILESCCOc1ccc(OC)cc1CNCCO
InChIInChI=1S/C12H19NO3/c1-3-16-12-5-4-11(15-2)8-10(12)9-13-6-7-14/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyRYEOYINCWJYODO-UHFFFAOYSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43309412
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol (CID 97179200) is 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol is CCOc1ccc(OC)cc1CNCCO.
What is the InChIKey of 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol?
The InChIKey is RYEOYINCWJYODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-12-5-4-11(15-2)8-10(12)9-13-6-7-14/h4-5,8,13-14H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol?
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 97179200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).