N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine

C15H26N2O2 — CID 115206014

IUPACN'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNCCc1cc(OC)c(C)cc1OC
InChIInChI=1S/C15H26N2O2/c1-5-16-8-9-17-7-6-13-11-14(18-3)12(2)10-15(13)19-4/h10-11,16-17H,5-9H2,1-4H3
InChIKeyQGWLSEBORUIMSD-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.75
Rot. Bonds9

About N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine

N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine (PubChem CID 115206014) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
PubChem CID115206014
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNCCc1cc(OC)c(C)cc1OC
InChIInChI=1S/C15H26N2O2/c1-5-16-8-9-17-7-6-13-11-14(18-3)12(2)10-15(13)19-4/h10-11,16-17H,5-9H2,1-4H3
InChIKeyQGWLSEBORUIMSD-UHFFFAOYSA-N
XLogP1.75
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
2-[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]ethanethiol
CID 115224241
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
CID 143866494
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine (CID 115206014) is N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine is CCNCCNCCc1cc(OC)c(C)cc1OC.
What is the InChIKey of N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine?
The InChIKey is QGWLSEBORUIMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-16-8-9-17-7-6-13-11-14(18-3)12(2)10-15(13)19-4/h10-11,16-17H,5-9H2,1-4H3.
What are the key properties of N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine?
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 115206014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).