3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol

C16H27NO4 — CID 103993463

IUPAC3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(OC)c(C(O)CNC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C16H27NO4/c1-15(2,16(3,4)19)17-10-13(18)12-9-11(20-5)7-8-14(12)21-6/h7-9,13,17-19H,10H2,1-6H3
InChIKeyINJFCSKZCCATOO-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.88
Rot. Bonds7

About 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol

3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 103993463) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
PubChem CID103993463
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
SMILESCOc1ccc(OC)c(C(O)CNC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C16H27NO4/c1-15(2,16(3,4)19)17-10-13(18)12-9-11(20-5)7-8-14(12)21-6/h7-9,13,17-19H,10H2,1-6H3
InChIKeyINJFCSKZCCATOO-UHFFFAOYSA-N
XLogP1.88
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
2-[(4-tert-butylcyclohexyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 78871610
1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol
CID 106211873
1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61101083

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol (CID 103993463) is 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol is COc1ccc(OC)c(C(O)CNC(C)(C)C(C)(C)O)c1.
What is the InChIKey of 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is INJFCSKZCCATOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-15(2,16(3,4)19)17-10-13(18)12-9-11(20-5)7-8-14(12)21-6/h7-9,13,17-19H,10H2,1-6H3.
What are the key properties of 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103993463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).