4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol

C13H21NO3 — CID 116952940

IUPAC4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
SMILESCNC(CCCO)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-14-12(5-4-8-15)11-7-6-10(16-2)9-13(11)17-3/h6-7,9,12,14-15H,4-5,8H2,1-3H3
InChIKeyIYQQLKPJGDCZKC-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.74
Rot. Bonds7

About 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol

4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol (PubChem CID 116952940) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
PubChem CID116952940
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
SMILESCNC(CCCO)c1ccc(OC)cc1OC
InChIInChI=1S/C13H21NO3/c1-14-12(5-4-8-15)11-7-6-10(16-2)9-13(11)17-3/h6-7,9,12,14-15H,4-5,8H2,1-3H3
InChIKeyIYQQLKPJGDCZKC-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981296
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
3-[[2-amino-1-(2,4-dimethoxyphenyl)ethyl]amino]butan-1-ol
CID 83176320
1-(2,4-dimethoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 19439911
1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115863936
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030629

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol (CID 116952940) is 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol is CNC(CCCO)c1ccc(OC)cc1OC.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol?
The InChIKey is IYQQLKPJGDCZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-14-12(5-4-8-15)11-7-6-10(16-2)9-13(11)17-3/h6-7,9,12,14-15H,4-5,8H2,1-3H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol?
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol is sourced from PubChem (CID 116952940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).