1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol

C15H25NO4 — CID 82315241

IUPAC1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol
SMILESCCOCCCNCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO4/c1-4-20-9-5-8-16-11-14(17)13-7-6-12(18-2)10-15(13)19-3/h6-7,10,14,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyYESHSPRQDKBEJL-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.75
Rot. Bonds10

About 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol

1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol (PubChem CID 82315241) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol
PubChem CID82315241
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol
SMILESCCOCCCNCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO4/c1-4-20-9-5-8-16-11-14(17)13-7-6-12(18-2)10-15(13)19-3/h6-7,10,14,16-17H,4-5,8-9,11H2,1-3H3
InChIKeyYESHSPRQDKBEJL-UHFFFAOYSA-N
XLogP1.75
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
CID 82941941
4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
CID 84556248
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol
CID 106211873
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 112511023
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol (CID 82315241) is 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol is CCOCCCNCC(O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol?
The InChIKey is YESHSPRQDKBEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-20-9-5-8-16-11-14(17)13-7-6-12(18-2)10-15(13)19-3/h6-7,10,14,16-17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol?
1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol has a molecular weight of 283.37 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol is sourced from PubChem (CID 82315241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).