[3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol

C12H19NO3 — CID 71228112

IUPAC[3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(OCCNC)c1
InChIInChI=1S/C12H19NO3/c1-3-15-11-6-10(9-14)7-12(8-11)16-5-4-13-2/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyRRTTVWJDAOIRMR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.18
Rot. Bonds7

About [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol

[3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol (PubChem CID 71228112) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol
PubChem CID71228112
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol
SMILESCCOc1cc(CO)cc(OCCNC)c1
InChIInChI=1S/C12H19NO3/c1-3-15-11-6-10(9-14)7-12(8-11)16-5-4-13-2/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyRRTTVWJDAOIRMR-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'}

Analyze [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol 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

[3,5-bis[6-[4-[(4-ethoxyphenyl)diazenyl]phenoxy]hexoxy]phenyl]methanol
CID 101415103
(3,5-dipentoxyphenyl)methanol
CID 121005447
N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
CID 123710934
(3-butoxy-5-butylphenyl)methanol
CID 118269486
[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
CID 67507886
[3-(hydroxymethyl)-5-pentoxyphenyl]methanol;propane
CID 169256035
3-ethoxy-5-(hydroxymethyl)benzaldehyde
CID 22039032
3-(hydroxymethyl)-5-propoxyphenol
CID 15514176
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
2-(4-ethoxyphenoxy)ethylhydrazine
CID 94680175

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol?
The IUPAC name of [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol (CID 71228112) is [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol?
The canonical SMILES for [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol is CCOc1cc(CO)cc(OCCNC)c1.
What is the InChIKey of [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol?
The InChIKey is RRTTVWJDAOIRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-11-6-10(9-14)7-12(8-11)16-5-4-13-2/h6-8,13-14H,3-5,9H2,1-2H3.
What are the key properties of [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol?
[3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol 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 [3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol is sourced from PubChem (CID 71228112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).