6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol

C16H27NO4 — CID 107851809

IUPAC6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
SMILESCOc1ccc(OC)c(C(O)CNCCCCCCO)c1
InChIInChI=1S/C16H27NO4/c1-20-13-7-8-16(21-2)14(11-13)15(19)12-17-9-5-3-4-6-10-18/h7-8,11,15,17-19H,3-6,9-10,12H2,1-2H3
InChIKeyAGGRTLJPQAIYFX-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.88
Rot. Bonds11

About 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol

6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol (PubChem CID 107851809) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
PubChem CID107851809
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
SMILESCOc1ccc(OC)c(C(O)CNCCCCCCO)c1
InChIInChI=1S/C16H27NO4/c1-20-13-7-8-16(21-2)14(11-13)15(19)12-17-9-5-3-4-6-10-18/h7-8,11,15,17-19H,3-6,9-10,12H2,1-2H3
InChIKeyAGGRTLJPQAIYFX-UHFFFAOYSA-N
XLogP1.88
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.88
H-Bond Donors ≤ 53
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-(hex-5-ynylamino)ethanol
CID 106211873
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
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
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
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
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 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol?
The IUPAC name of 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol (CID 107851809) is 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol is COc1ccc(OC)c(C(O)CNCCCCCCO)c1.
What is the InChIKey of 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol?
The InChIKey is AGGRTLJPQAIYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-20-13-7-8-16(21-2)14(11-13)15(19)12-17-9-5-3-4-6-10-18/h7-8,11,15,17-19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol?
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol has a molecular weight of 297.39 g/mol, XLogP of 1.88, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol is sourced from PubChem (CID 107851809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).