2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine

C16H28N2O — CID 115251582

IUPAC2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-6-14(9-17)10-18(4)11-15-7-8-16(19-5)13(3)12(15)2/h7-8,14H,6,9-11,17H2,1-5H3
InChIKeyYLEYRVUFDJCWFY-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.73
Rot. Bonds7

About 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine

2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 115251582) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID115251582
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-6-14(9-17)10-18(4)11-15-7-8-16(19-5)13(3)12(15)2/h7-8,14H,6,9-11,17H2,1-5H3
InChIKeyYLEYRVUFDJCWFY-UHFFFAOYSA-N
XLogP2.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516
N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251560
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine
CID 115251473
2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251757
2-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251726

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine (CID 115251582) is 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine is CCC(CN)CN(C)Cc1ccc(OC)c(C)c1C.
What is the InChIKey of 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is YLEYRVUFDJCWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-14(9-17)10-18(4)11-15-7-8-16(19-5)13(3)12(15)2/h7-8,14H,6,9-11,17H2,1-5H3.
What are the key properties of 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine?
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115251582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).