2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine

C13H22N2O2 — CID 43830167

IUPAC2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(OC)c(C(C)(N)CN(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-13(14,9-15(2)3)11-8-10(16-4)6-7-12(11)17-5/h6-8H,9,14H2,1-5H3
InChIKeyGTMYRTQQTVLWPQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.44
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine

2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 43830167) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID43830167
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(OC)c(C(C)(N)CN(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-13(14,9-15(2)3)11-8-10(16-4)6-7-12(11)17-5/h6-8H,9,14H2,1-5H3
InChIKeyGTMYRTQQTVLWPQ-UHFFFAOYSA-N
XLogP1.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830158
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
CID 43830152
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine
CID 43830156
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 43830167) is 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc(OC)c(C(C)(N)CN(C)C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is GTMYRTQQTVLWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(14,9-15(2)3)11-8-10(16-4)6-7-12(11)17-5/h6-8H,9,14H2,1-5H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 43830167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).