N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine

C13H22N2O — CID 96672556

IUPACN'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(C)cc(C)c1OC
InChIInChI=1S/C13H22N2O/c1-10-8-11(2)13(16-5)12(9-10)15(4)7-6-14-3/h8-9,14H,6-7H2,1-5H3
InChIKeyIGVIDZDFAMXEBS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.97
Rot. Bonds5

About N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine

N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 96672556) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID96672556
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(C)cc(C)c1OC
InChIInChI=1S/C13H22N2O/c1-10-8-11(2)13(16-5)12(9-10)15(4)7-6-14-3/h8-9,14H,6-7H2,1-5H3
InChIKeyIGVIDZDFAMXEBS-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-N,3,5-trimethylanilino)propanenitrile
CID 115230771
N'-(3,5-dichloro-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96680421
N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203086
2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid
CID 115241124
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115206873
N'-(2-methoxy-3,5-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252419
N'-(2-methoxy-3,4-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 103434185
3-(2-methoxy-N,3,5-trimethylanilino)-3-oxopropanoic acid
CID 115163317
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
CID 115170741

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine (CID 96672556) is N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cc(C)cc(C)c1OC.
What is the InChIKey of N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is IGVIDZDFAMXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-8-11(2)13(16-5)12(9-10)15(4)7-6-14-3/h8-9,14H,6-7H2,1-5H3.
What are the key properties of N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 96672556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).