3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol

C13H21NO3 — CID 83938229

IUPAC3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1ccc(OC)c(C(CCO)N(C)C)c1
InChIInChI=1S/C13H21NO3/c1-14(2)12(7-8-15)11-9-10(16-3)5-6-13(11)17-4/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyLKRFAOZRLLWRGN-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.69
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol

3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol (PubChem CID 83938229) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
PubChem CID83938229
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
SMILESCOc1ccc(OC)c(C(CCO)N(C)C)c1
InChIInChI=1S/C13H21NO3/c1-14(2)12(7-8-15)11-9-10(16-3)5-6-13(11)17-4/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyLKRFAOZRLLWRGN-UHFFFAOYSA-N
XLogP1.69
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol 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

2-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanethiol
CID 116908765
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
N-[1-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-methylacetamide
CID 116860821
2-[1-(dimethylamino)-3-hydroxypropyl]-6-methoxyphenol
CID 83930616
[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
CID 116912133
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83926098
3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83928505
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol (CID 83938229) is 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol is COc1ccc(OC)c(C(CCO)N(C)C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol?
The InChIKey is LKRFAOZRLLWRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14(2)12(7-8-15)11-9-10(16-3)5-6-13(11)17-4/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol?
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 83938229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).