1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine

C15H26N2O2 — CID 115136241

IUPAC1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CCN(C)CC(C)(C)N)cc1OC
InChIInChI=1S/C15H26N2O2/c1-15(2,16)11-17(3)9-8-12-6-7-13(18-4)14(10-12)19-5/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyPYJCRMINKXMLOK-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.92
Rot. Bonds7

About 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine

1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115136241) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115136241
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CCN(C)CC(C)(C)N)cc1OC
InChIInChI=1S/C15H26N2O2/c1-15(2,16)11-17(3)9-8-12-6-7-13(18-4)14(10-12)19-5/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyPYJCRMINKXMLOK-UHFFFAOYSA-N
XLogP1.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136244
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
4-(3,4-dimethoxyphenyl)-2-methylbutan-2-amine
CID 91666775
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanenitrile
CID 10083361
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136234
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226184

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115136241) is 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is COc1ccc(CCN(C)CC(C)(C)N)cc1OC.
What is the InChIKey of 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is PYJCRMINKXMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-15(2,16)11-17(3)9-8-12-6-7-13(18-4)14(10-12)19-5/h6-7,10H,8-9,11,16H2,1-5H3.
What are the key properties of 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115136241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).