1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine

C13H22N2O2 — CID 116949261

IUPAC1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
SMILESCNC(CCCN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-15-11(5-4-8-14)10-6-7-12(16-2)13(9-10)17-3/h6-7,9,11,15H,4-5,8,14H2,1-3H3
InChIKeyZIDSKGSMOKTDEV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine

1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine (PubChem CID 116949261) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
PubChem CID116949261
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
SMILESCNC(CCCN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-15-11(5-4-8-14)10-6-7-12(16-2)13(9-10)17-3/h6-7,9,11,15H,4-5,8,14H2,1-3H3
InChIKeyZIDSKGSMOKTDEV-UHFFFAOYSA-N
XLogP1.70
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141261
1-(5-chloro-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949267
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine
CID 139762530
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine
CID 105033634

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine (CID 116949261) is 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine is CNC(CCCN)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine?
The InChIKey is ZIDSKGSMOKTDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15-11(5-4-8-14)10-6-7-12(16-2)13(9-10)17-3/h6-7,9,11,15H,4-5,8,14H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine?
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine is sourced from PubChem (CID 116949261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).