N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine

C13H22N2O3 — CID 116934954

IUPACN'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H22N2O3/c1-5-15-8-10(14)9-6-12(17-3)13(18-4)7-11(9)16-2/h6-7,10,15H,5,8,14H2,1-4H3
InChIKeyGZCXNDYYDPUMIB-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.32
Rot. Bonds7

About N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine

N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine (PubChem CID 116934954) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
PubChem CID116934954
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCCNCC(N)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H22N2O3/c1-5-15-8-10(14)9-6-12(17-3)13(18-4)7-11(9)16-2/h6-7,10,15H,5,8,14H2,1-4H3
InChIKeyGZCXNDYYDPUMIB-UHFFFAOYSA-N
XLogP1.32
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
4-amino-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 115005610
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
3-(ethylamino)-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 65233872
3-methyl-1-(2,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933618
1-(2,4,5-trimethoxyphenyl)but-3-yn-1-amine
CID 114976960
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine (CID 116934954) is N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine is CCNCC(N)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is GZCXNDYYDPUMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-15-8-10(14)9-6-12(17-3)13(18-4)7-11(9)16-2/h6-7,10,15H,5,8,14H2,1-4H3.
What are the key properties of N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116934954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).