N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine

C13H22N2O — CID 98783803

IUPACN'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCOc1ccc(CN(C)CCN)cc1C
InChIInChI=1S/C13H22N2O/c1-4-16-13-6-5-12(9-11(13)2)10-15(3)8-7-14/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyWQWBUMJWMNGIPK-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.78
Rot. Bonds6

About N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine

N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 98783803) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID98783803
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCOc1ccc(CN(C)CCN)cc1C
InChIInChI=1S/C13H22N2O/c1-4-16-13-6-5-12(9-11(13)2)10-15(3)8-7-14/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyWQWBUMJWMNGIPK-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
3-[(4-ethoxy-3-methylphenyl)methyl-methylamino]propane-1-thiol
CID 115225008
1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260951
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide
CID 115191970
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259024
N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139170
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
N'-[2-(4-ethoxy-3-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115195519

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine (CID 98783803) is N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine is CCOc1ccc(CN(C)CCN)cc1C.
What is the InChIKey of N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is WQWBUMJWMNGIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-16-13-6-5-12(9-11(13)2)10-15(3)8-7-14/h5-6,9H,4,7-8,10,14H2,1-3H3.
What are the key properties of N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine?
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 98783803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).