1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine

C13H22N2O — CID 116948083

IUPAC1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCCOc1ccc(C(NC)C(C)N)cc1C
InChIInChI=1S/C13H22N2O/c1-5-16-12-7-6-11(8-9(12)2)13(15-4)10(3)14/h6-8,10,13,15H,5,14H2,1-4H3
InChIKeyTZVKADBLTZOQMG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.00
Rot. Bonds5

About 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine

1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948083) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID116948083
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCCOc1ccc(C(NC)C(C)N)cc1C
InChIInChI=1S/C13H22N2O/c1-5-16-12-7-6-11(8-9(12)2)13(15-4)10(3)14/h6-8,10,13,15H,5,14H2,1-4H3
InChIKeyTZVKADBLTZOQMG-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
2-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960687
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
2-(4-ethoxy-3-methylphenyl)-2-(methylamino)acetonitrile
CID 116955008
1-(4-ethoxy-3-methylphenyl)-2-methoxy-N-methylethanamine
CID 112517931
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine (CID 116948083) is 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine is CCOc1ccc(C(NC)C(C)N)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is TZVKADBLTZOQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-16-12-7-6-11(8-9(12)2)13(15-4)10(3)14/h6-8,10,13,15H,5,14H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine?
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).