1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol

C16H27NO4 — CID 82941941

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
SMILESCCCOCCCNCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO4/c1-4-9-21-10-5-8-17-12-15(18)14-11-13(19-2)6-7-16(14)20-3/h6-7,11,15,17-18H,4-5,8-10,12H2,1-3H3
InChIKeyIDEWOGMDFXRKSH-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.14
Rot. Bonds11

About 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol

1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol (PubChem CID 82941941) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
PubChem CID82941941
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
SMILESCCCOCCCNCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO4/c1-4-9-21-10-5-8-17-12-15(18)14-11-13(19-2)6-7-16(14)20-3/h6-7,11,15,17-18H,4-5,8-10,12H2,1-3H3
InChIKeyIDEWOGMDFXRKSH-UHFFFAOYSA-N
XLogP2.14
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.14
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

6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol
CID 82315241
1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol
CID 106211873
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
1-(3-butoxypropyl)-2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethylguanidine
CID 111239697
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol
CID 82944241
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine
CID 75420917
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol (CID 82941941) is 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol is CCCOCCCNCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol?
The InChIKey is IDEWOGMDFXRKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-4-9-21-10-5-8-17-12-15(18)14-11-13(19-2)6-7-16(14)20-3/h6-7,11,15,17-18H,4-5,8-10,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol?
1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol has a molecular weight of 297.40 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol is sourced from PubChem (CID 82941941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).