2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol

C17H27NO3 — CID 60968943

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)CN(CC(C)C)C2CC2)c1
InChIInChI=1S/C17H27NO3/c1-12(2)10-18(13-5-6-13)11-16(19)15-9-14(20-3)7-8-17(15)21-4/h7-9,12-13,16,19H,5-6,10-11H2,1-4H3
InChIKeyAFXYWFLLLYOVAZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds8

About 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol

2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 60968943) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID60968943
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)CN(CC(C)C)C2CC2)c1
InChIInChI=1S/C17H27NO3/c1-12(2)10-18(13-5-6-13)11-16(19)15-9-14(20-3)7-8-17(15)21-4/h7-9,12-13,16,19H,5-6,10-11H2,1-4H3
InChIKeyAFXYWFLLLYOVAZ-UHFFFAOYSA-N
XLogP2.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 60970630
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-5-methoxyphenol
CID 82983460
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 65323953
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961
1-(2,5-dimethoxyphenyl)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 100922847
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 34979795

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol (CID 60968943) is 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(O)CN(CC(C)C)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is AFXYWFLLLYOVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)10-18(13-5-6-13)11-16(19)15-9-14(20-3)7-8-17(15)21-4/h7-9,12-13,16,19H,5-6,10-11H2,1-4H3.
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol?
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 293.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 60968943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).