N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine

C13H22N2O3 — CID 55103553

IUPACN'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1cc(OC)c(CN(C)CCN)c(OC)c1
InChIInChI=1S/C13H22N2O3/c1-15(6-5-14)9-11-12(17-3)7-10(16-2)8-13(11)18-4/h7-8H,5-6,9,14H2,1-4H3
InChIKeyBEPKZJAWHAIDES-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.10
Rot. Bonds7

About N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine

N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 55103553) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID55103553
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1cc(OC)c(CN(C)CCN)c(OC)c1
InChIInChI=1S/C13H22N2O3/c1-15(6-5-14)9-11-12(17-3)7-10(16-2)8-13(11)18-4/h7-8H,5-6,9,14H2,1-4H3
InChIKeyBEPKZJAWHAIDES-UHFFFAOYSA-N
XLogP1.10
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile
CID 115231000
2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]ethanethiol
CID 115224150
N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 146255660
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
N-ethyl-N-methyl-2-(2,4,6-trimethoxyphenyl)ethanamine
CID 115259613
N'-[(2-methoxynaphthalen-1-yl)methyl]-N'-methylethane-1,2-diamine
CID 62682753
2-hydroxy-N-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 115139976
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(2,4,6-trimethoxyphenyl)methanamine
CID 77081168
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine (CID 55103553) is N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine is COc1cc(OC)c(CN(C)CCN)c(OC)c1.
What is the InChIKey of N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is BEPKZJAWHAIDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(6-5-14)9-11-12(17-3)7-10(16-2)8-13(11)18-4/h7-8H,5-6,9,14H2,1-4H3.
What are the key properties of N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55103553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).