1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine

C13H22N2O2 — CID 116934957

IUPAC1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
SMILESCCNCC(N)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C13H22N2O2/c1-5-15-8-11(14)13-9(2)6-10(16-3)7-12(13)17-4/h6-7,11,15H,5,8,14H2,1-4H3
InChIKeyJGQRPXJNCJISKA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.62
Rot. Bonds6

About 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine

1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine (PubChem CID 116934957) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
PubChem CID116934957
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
SMILESCCNCC(N)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C13H22N2O2/c1-5-15-8-11(14)13-9(2)6-10(16-3)7-12(13)17-4/h6-7,11,15H,5,8,14H2,1-4H3
InChIKeyJGQRPXJNCJISKA-UHFFFAOYSA-N
XLogP1.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
5-amino-5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116940763
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
CID 116868681
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine (CID 116934957) is 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine is CCNCC(N)c1c(C)cc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine?
The InChIKey is JGQRPXJNCJISKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-15-8-11(14)13-9(2)6-10(16-3)7-12(13)17-4/h6-7,11,15H,5,8,14H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine?
1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 116934957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).