1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C16H28N2O2 — CID 43221626

IUPAC1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCOc1cccc(CNCC(C)(C)N(C)C)c1OC
InChIInChI=1S/C16H28N2O2/c1-7-20-14-10-8-9-13(15(14)19-6)11-17-12-16(2,3)18(4)5/h8-10,17H,7,11-12H2,1-6H3
InChIKeyKWIVHMXTMHWBFZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.52
Rot. Bonds8

About 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43221626) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43221626
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCOc1cccc(CNCC(C)(C)N(C)C)c1OC
InChIInChI=1S/C16H28N2O2/c1-7-20-14-10-8-9-13(15(14)19-6)11-17-12-16(2,3)18(4)5/h8-10,17H,7,11-12H2,1-6H3
InChIKeyKWIVHMXTMHWBFZ-UHFFFAOYSA-N
XLogP2.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824190
1-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43406346
1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113453542
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638
N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
CID 115281366
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655973
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43221626) is 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CCOc1cccc(CNCC(C)(C)N(C)C)c1OC.
What is the InChIKey of 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is KWIVHMXTMHWBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-20-14-10-8-9-13(15(14)19-6)11-17-12-16(2,3)18(4)5/h8-10,17H,7,11-12H2,1-6H3.
What are the key properties of 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43221626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).