3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol

C13H21NO3 — CID 65234980

IUPAC3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol
SMILESCNC(C)(CCO)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-13(14-2,7-8-15)10-5-6-11(16-3)12(9-10)17-4/h5-6,9,14-15H,7-8H2,1-4H3
InChIKeyAAAMBLZAKIYLSL-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.52
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol

3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol (PubChem CID 65234980) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol
PubChem CID65234980
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol
SMILESCNC(C)(CCO)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-13(14-2,7-8-15)10-5-6-11(16-3)12(9-10)17-4/h5-6,9,14-15H,7-8H2,1-4H3
InChIKeyAAAMBLZAKIYLSL-UHFFFAOYSA-N
XLogP1.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol (CID 65234980) is 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol is CNC(C)(CCO)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol?
The InChIKey is AAAMBLZAKIYLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(14-2,7-8-15)10-5-6-11(16-3)12(9-10)17-4/h5-6,9,14-15H,7-8H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol?
3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol has a molecular weight of 239.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-3-(methylamino)butan-1-ol is sourced from PubChem (CID 65234980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).