6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine

C15H26N2O2 — CID 139762530

IUPAC6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine
SMILESCNC(CCCN)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-17-13(5-4-10-16)8-6-12-7-9-14(18-2)15(11-12)19-3/h7,9,11,13,17H,4-6,8,10,16H2,1-3H3
InChIKeyKQJFHSOIVZQZEO-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.96
Rot. Bonds9

About 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine

6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine (PubChem CID 139762530) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine
PubChem CID139762530
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine
SMILESCNC(CCCN)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-17-13(5-4-10-16)8-6-12-7-9-14(18-2)15(11-12)19-3/h7,9,11,13,17H,4-6,8,10,16H2,1-3H3
InChIKeyKQJFHSOIVZQZEO-UHFFFAOYSA-N
XLogP1.96
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
1-(3,4-dimethoxyphenyl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 63192132
4-(3-bromohexyl)-1,2-dimethoxybenzene
CID 64506935
3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82161145
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine (CID 139762530) is 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine is CNC(CCCN)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine?
The InChIKey is KQJFHSOIVZQZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-17-13(5-4-10-16)8-6-12-7-9-14(18-2)15(11-12)19-3/h7,9,11,13,17H,4-6,8,10,16H2,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine?
6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-N-methylhexane-1,4-diamine is sourced from PubChem (CID 139762530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).