4-(2,5-dimethoxy-N-methylanilino)butan-1-ol

C13H21NO3 — CID 115217449

IUPAC4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
SMILESCOc1ccc(OC)c(N(C)CCCCO)c1
InChIInChI=1S/C13H21NO3/c1-14(8-4-5-9-15)12-10-11(16-2)6-7-13(12)17-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyARVBBQXZBDUEOM-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.91
Rot. Bonds7

About 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol

4-(2,5-dimethoxy-N-methylanilino)butan-1-ol (PubChem CID 115217449) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
PubChem CID115217449
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
SMILESCOc1ccc(OC)c(N(C)CCCCO)c1
InChIInChI=1S/C13H21NO3/c1-14(8-4-5-9-15)12-10-11(16-2)6-7-13(12)17-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyARVBBQXZBDUEOM-UHFFFAOYSA-N
XLogP1.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,5-dimethoxy-N-methylanilino)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

5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
CID 115217458
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
CID 115217502
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
CID 94264285
4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521188
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
(E)-4-(2,5-dimethoxy-N-methylanilino)but-2-enoic acid
CID 115236962
methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206
2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306245

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol?
The IUPAC name of 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol (CID 115217449) is 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol.
What is the SMILES notation for 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol?
The canonical SMILES for 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol is COc1ccc(OC)c(N(C)CCCCO)c1.
What is the InChIKey of 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol?
The InChIKey is ARVBBQXZBDUEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14(8-4-5-9-15)12-10-11(16-2)6-7-13(12)17-3/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol?
4-(2,5-dimethoxy-N-methylanilino)butan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-N-methylanilino)butan-1-ol is sourced from PubChem (CID 115217449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).