2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine

C15H26N2O — CID 115251757

IUPAC2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)CCc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-4-13(11-16)12-17(2)10-9-14-7-5-6-8-15(14)18-3/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyKLNZSQYNYBDTRQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.15
Rot. Bonds8

About 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine

2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 115251757) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID115251757
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)CCc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-4-13(11-16)12-17(2)10-9-14-7-5-6-8-15(14)18-3/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyKLNZSQYNYBDTRQ-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251726
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994
(2S,4R)-2-ethyl-6-(2-methoxyphenyl)-4-methylhexan-1-amine
CID 150211200
2-ethyl-N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251725
2-[2-(2-methoxyphenyl)ethyl-methylamino]ethanethiol
CID 115224424
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpentanamide
CID 81084373
4-N-[2-(2-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
CID 117041340
2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115251113
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine (CID 115251757) is 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine is CCC(CN)CN(C)CCc1ccccc1OC.
What is the InChIKey of 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is KLNZSQYNYBDTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13(11-16)12-17(2)10-9-14-7-5-6-8-15(14)18-3/h5-8,13H,4,9-12,16H2,1-3H3.
What are the key properties of 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine?
2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115251757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).