1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol

C16H23NO3 — CID 106211873

IUPAC1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol
SMILESC#CCCCCNCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H23NO3/c1-4-5-6-7-10-17-12-15(18)14-11-13(19-2)8-9-16(14)20-3/h1,8-9,11,15,17-18H,5-7,10,12H2,2-3H3
InChIKeyUVDOTKZIEKWYME-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.13
Rot. Bonds9

About 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol

1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol (PubChem CID 106211873) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol
PubChem CID106211873
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol
SMILESC#CCCCCNCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H23NO3/c1-4-5-6-7-10-17-12-15(18)14-11-13(19-2)8-9-16(14)20-3/h1,8-9,11,15,17-18H,5-7,10,12H2,2-3H3
InChIKeyUVDOTKZIEKWYME-UHFFFAOYSA-N
XLogP2.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol 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

6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
N-[1-(2,5-dimethoxyphenyl)ethyl]hex-5-yn-1-amine
CID 103903654
1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
CID 82941941
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
(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
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol
CID 82315241
1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
CID 78871605
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol (CID 106211873) is 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol is C#CCCCCNCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol?
The InChIKey is UVDOTKZIEKWYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-5-6-7-10-17-12-15(18)14-11-13(19-2)8-9-16(14)20-3/h1,8-9,11,15,17-18H,5-7,10,12H2,2-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol?
1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol has a molecular weight of 277.36 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol is sourced from PubChem (CID 106211873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).