2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol

C18H31NO — CID 63472284

IUPAC2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(C)ccc1C
InChIInChI=1S/C18H31NO/c1-5-7-11-19(12-8-6-2)14-18(20)17-13-15(3)9-10-16(17)4/h9-10,13,18,20H,5-8,11-12,14H2,1-4H3
InChIKeyATBHRZXFKYUJDY-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.24
Rot. Bonds9

About 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol

2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol (PubChem CID 63472284) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
PubChem CID63472284
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(C)ccc1C
InChIInChI=1S/C18H31NO/c1-5-7-11-19(12-8-6-2)14-18(20)17-13-15(3)9-10-16(17)4/h9-10,13,18,20H,5-8,11-12,14H2,1-4H3
InChIKeyATBHRZXFKYUJDY-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dibutylamino)-1-(2,5-dimethylphenyl)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-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol
CID 63471145
1-(2-tert-butyl-6-methylquinolin-4-yl)-2-(dibutylamino)ethanol
CID 90669208
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol
CID 82216742
1-(5-chloro-4-methylquinolin-8-yl)-2-(dibutylamino)ethanol
CID 90669711
(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
CID 96519387
3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82074631
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
2-[butyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanol
CID 82215902
2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
CID 111564959
2-(dibutylamino)-1-thieno[3,2-e][1]benzothiol-4-ylethanol
CID 90669532
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
CID 105416501

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol (CID 63472284) is 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol is CCCCN(CCCC)CC(O)c1cc(C)ccc1C.
What is the InChIKey of 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol?
The InChIKey is ATBHRZXFKYUJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-7-11-19(12-8-6-2)14-18(20)17-13-15(3)9-10-16(17)4/h9-10,13,18,20H,5-8,11-12,14H2,1-4H3.
What are the key properties of 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol?
2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol has a molecular weight of 277.45 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 63472284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).