1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol

C15H25NO3 — CID 82315275

IUPAC1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(NC(C)C)C(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO3/c1-6-13(16-10(2)3)15(17)12-8-7-11(18-4)9-14(12)19-5/h7-10,13,15-17H,6H2,1-5H3
InChIKeyJKMDWRHDYKLGPV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol

1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 82315275) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID82315275
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
SMILESCCC(NC(C)C)C(O)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO3/c1-6-13(16-10(2)3)15(17)12-8-7-11(18-4)9-14(12)19-5/h7-10,13,15-17H,6H2,1-5H3
InChIKeyJKMDWRHDYKLGPV-UHFFFAOYSA-N
XLogP2.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-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-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315890
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
3-bromo-1-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 171860275
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 6080
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151527

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol (CID 82315275) is 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol is CCC(NC(C)C)C(O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is JKMDWRHDYKLGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-13(16-10(2)3)15(17)12-8-7-11(18-4)9-14(12)19-5/h7-10,13,15-17H,6H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol?
1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 82315275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).