N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine

C13H22N2O3 — CID 113405170

IUPACN-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCNCCNCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H22N2O3/c1-14-5-6-15-9-10-7-12(17-3)13(18-4)8-11(10)16-2/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeyXEIROMIGRVGBQC-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.02
Rot. Bonds8

About N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine

N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 113405170) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID113405170
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCNCCNCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C13H22N2O3/c1-14-5-6-15-9-10-7-12(17-3)13(18-4)8-11(10)16-2/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeyXEIROMIGRVGBQC-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-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
1-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721310
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854
2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 2163779
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360
N-[(2,4,5-trimethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6461052
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine (CID 113405170) is N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine is CNCCNCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is XEIROMIGRVGBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-5-6-15-9-10-7-12(17-3)13(18-4)8-11(10)16-2/h7-8,14-15H,5-6,9H2,1-4H3.
What are the key properties of N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine?
N-methyl-N'-[(2,4,5-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'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 113405170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).