4-(2,4-dimethoxy-3-methylanilino)butan-1-ol

C13H21NO3 — CID 115217383

IUPAC4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
SMILESCOc1ccc(NCCCCO)c(OC)c1C
InChIInChI=1S/C13H21NO3/c1-10-12(16-2)7-6-11(13(10)17-3)14-8-4-5-9-15/h6-7,14-15H,4-5,8-9H2,1-3H3
InChIKeyURMHFLCWBWKRNE-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.20
Rot. Bonds7

About 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol

4-(2,4-dimethoxy-3-methylanilino)butan-1-ol (PubChem CID 115217383) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
PubChem CID115217383
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(2,4-dimethoxy-3-methylanilino)butan-1-ol
SMILESCOc1ccc(NCCCCO)c(OC)c1C
InChIInChI=1S/C13H21NO3/c1-10-12(16-2)7-6-11(13(10)17-3)14-8-4-5-9-15/h6-7,14-15H,4-5,8-9H2,1-3H3
InChIKeyURMHFLCWBWKRNE-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethoxy-3-methylanilino)butanoic acid
CID 115218452
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
3-(2,4-dimethoxy-3-methylanilino)propanenitrile
CID 115230671
4-(2,4-dimethoxy-3-methylanilino)-2-methylbutanoic acid
CID 115220535
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459
4-(4-hydroxybutylamino)-3-methoxybenzonitrile
CID 104848657
1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
CID 115203598
2-(2,4-dimethoxy-3-methylanilino)-3-methylbutan-1-ol
CID 115137309
4-(4-methoxy-2,3-dimethylanilino)-2,2-dimethylbutanoic acid
CID 115221019
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol?
The IUPAC name of 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol (CID 115217383) is 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol.
What is the SMILES notation for 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol?
The canonical SMILES for 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol is COc1ccc(NCCCCO)c(OC)c1C.
What is the InChIKey of 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol?
The InChIKey is URMHFLCWBWKRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10-12(16-2)7-6-11(13(10)17-3)14-8-4-5-9-15/h6-7,14-15H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol?
4-(2,4-dimethoxy-3-methylanilino)butan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-3-methylanilino)butan-1-ol is sourced from PubChem (CID 115217383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).