1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol

C15H25NO3 — CID 60903994

IUPAC1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
SMILESCCC(C)(C)NCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO3/c1-6-15(2,3)16-10-13(17)12-9-11(18-4)7-8-14(12)19-5/h7-9,13,16-17H,6,10H2,1-5H3
InChIKeyCQCHWTZRFYBHLF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.52
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol

1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol (PubChem CID 60903994) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
PubChem CID60903994
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
SMILESCCC(C)(C)NCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO3/c1-6-15(2,3)16-10-13(17)12-9-11(18-4)7-8-14(12)19-5/h7-9,13,16-17H,6,10H2,1-5H3
InChIKeyCQCHWTZRFYBHLF-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
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
1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
CID 82941941
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methyl-3-propylguanidine
CID 75420917
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol (CID 60903994) is 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol is CCC(C)(C)NCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol?
The InChIKey is CQCHWTZRFYBHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-15(2,3)16-10-13(17)12-9-11(18-4)7-8-14(12)19-5/h7-9,13,16-17H,6,10H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol?
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol has a molecular weight of 267.37 g/mol, XLogP of 2.52, 7 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-(2-methylbutan-2-ylamino)ethanol is sourced from PubChem (CID 60903994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).