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

C15H25NO4 — CID 82314733

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
SMILESCOCCCNC(C)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO4/c1-11(16-8-5-9-18-2)15(17)13-10-12(19-3)6-7-14(13)20-4/h6-7,10-11,15-17H,5,8-9H2,1-4H3
InChIKeyVCWKBTSYUFIMEK-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.75
Rot. Bonds9

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

1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol (PubChem CID 82314733) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
PubChem CID82314733
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
SMILESCOCCCNC(C)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C15H25NO4/c1-11(16-8-5-9-18-2)15(17)13-10-12(19-3)6-7-14(13)20-4/h6-7,10-11,15-17H,5,8-9H2,1-4H3
InChIKeyVCWKBTSYUFIMEK-UHFFFAOYSA-N
XLogP1.75
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)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-[2-(dimethylamino)ethylamino]propan-1-ol
CID 82314748
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 6080
2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 82315545
2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313691
2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 69119374
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
1-(2,5-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62801169
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxyethyl)thiourea
CID 51390311
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
(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-(3-methoxypropylamino)propan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol (CID 82314733) is 1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol is COCCCNC(C)C(O)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol?
The InChIKey is VCWKBTSYUFIMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11(16-8-5-9-18-2)15(17)13-10-12(19-3)6-7-14(13)20-4/h6-7,10-11,15-17H,5,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol?
1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol has a molecular weight of 283.37 g/mol, XLogP of 1.75, 9 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-(3-methoxypropylamino)propan-1-ol is sourced from PubChem (CID 82314733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).