1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol

C17H29NO3 — CID 60970630

IUPAC1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
SMILESCOc1ccc(OC)c(C(O)CN(C)C(C)CC(C)C)c1
InChIInChI=1S/C17H29NO3/c1-12(2)9-13(3)18(4)11-16(19)15-10-14(20-5)7-8-17(15)21-6/h7-8,10,12-13,16,19H,9,11H2,1-6H3
InChIKeyUILWNDGUBPCJTJ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.10
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol

1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol (PubChem CID 60970630) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
PubChem CID60970630
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
SMILESCOc1ccc(OC)c(C(O)CN(C)C(C)CC(C)C)c1
InChIInChI=1S/C17H29NO3/c1-12(2)9-13(3)18(4)11-16(19)15-10-14(20-5)7-8-17(15)21-6/h7-8,10,12-13,16,19H,9,11H2,1-6H3
InChIKeyUILWNDGUBPCJTJ-UHFFFAOYSA-N
XLogP3.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.10
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
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60968943
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol
CID 65136288
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
(1R)-1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propan-2-yl)amino]ethanol
CID 142421091
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61101083
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol (CID 60970630) is 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol is COc1ccc(OC)c(C(O)CN(C)C(C)CC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol?
The InChIKey is UILWNDGUBPCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12(2)9-13(3)18(4)11-16(19)15-10-14(20-5)7-8-17(15)21-6/h7-8,10,12-13,16,19H,9,11H2,1-6H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol?
1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol has a molecular weight of 295.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol is sourced from PubChem (CID 60970630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).