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

C16H27NO3 — CID 60969431

IUPAC1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
SMILESCCN(CC(C)C)CC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO3/c1-6-17(10-12(2)3)11-15(18)14-9-13(19-4)7-8-16(14)20-5/h7-9,12,15,18H,6,10-11H2,1-5H3
InChIKeyAHZFQLZFYZAIGB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.72
Rot. Bonds8

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

1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol (PubChem CID 60969431) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
PubChem CID60969431
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
SMILESCCN(CC(C)C)CC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO3/c1-6-17(10-12(2)3)11-15(18)14-9-13(19-4)7-8-16(14)20-5/h7-9,12,15,18H,6,10-11H2,1-5H3
InChIKeyAHZFQLZFYZAIGB-UHFFFAOYSA-N
XLogP2.72
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 60970630
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60968943
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
(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
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
2-[ethyl(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54983134
3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 110830674
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol (CID 60969431) is 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol is CCN(CC(C)C)CC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol?
The InChIKey is AHZFQLZFYZAIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-17(10-12(2)3)11-15(18)14-9-13(19-4)7-8-16(14)20-5/h7-9,12,15,18H,6,10-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol?
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol has a molecular weight of 281.40 g/mol, XLogP of 2.72, 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-[ethyl(2-methylpropyl)amino]ethanol is sourced from PubChem (CID 60969431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).