1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol

C15H26N2O3 — CID 82314748

IUPAC1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)NCCN(C)C)c1
InChIInChI=1S/C15H26N2O3/c1-11(16-8-9-17(2)3)15(18)13-10-12(19-4)6-7-14(13)20-5/h6-7,10-11,15-16,18H,8-9H2,1-5H3
InChIKeyZYJWHYYMWVHWEN-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.28
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol

1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol (PubChem CID 82314748) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
PubChem CID82314748
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)NCCN(C)C)c1
InChIInChI=1S/C15H26N2O3/c1-11(16-8-9-17(2)3)15(18)13-10-12(19-4)6-7-14(13)20-5/h6-7,10-11,15-16,18H,8-9H2,1-5H3
InChIKeyZYJWHYYMWVHWEN-UHFFFAOYSA-N
XLogP1.28
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]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

1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82314733
2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313691
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 6080
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 69119374
N-[1-(2,5-dimethoxyphenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635354
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 82315545
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol (CID 82314748) is 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol is COc1ccc(OC)c(C(O)C(C)NCCN(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol?
The InChIKey is ZYJWHYYMWVHWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(16-8-9-17(2)3)15(18)13-10-12(19-4)6-7-14(13)20-5/h6-7,10-11,15-16,18H,8-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol?
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol is sourced from PubChem (CID 82314748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).