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

C13H22N2O3 — CID 115195875

IUPACN-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCNCCNCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C13H22N2O3/c1-14-5-6-15-9-11-12(17-3)7-10(16-2)8-13(11)18-4/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeyPDYJMUSPKGJMKE-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.02
Rot. Bonds8

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 115195875) 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 CID115195875
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCNCCNCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C13H22N2O3/c1-14-5-6-15-9-11-12(17-3)7-10(16-2)8-13(11)18-4/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeyPDYJMUSPKGJMKE-UHFFFAOYSA-N
XLogP1.02
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
2-methylsulfonyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60921052
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
2-[(2,4,6-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 43551672
2-cyclopentyl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 60733123
N-methyl-5-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 65300910
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 115699243
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170

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 115195875) 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 CNCCNCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is PDYJMUSPKGJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-5-6-15-9-11-12(17-3)7-10(16-2)8-13(11)18-4/h7-8,14-15H,5-6,9H2,1-4H3.
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 1.02, 8 rotatable bonds, 2 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 115195875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).