N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine

C12H18N2O3 — CID 71536298

IUPACN-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine
SMILESCOc1cc(OC)c(OC)cc1/C=N/N(C)C
InChIInChI=1S/C12H18N2O3/c1-14(2)13-8-9-6-11(16-4)12(17-5)7-10(9)15-3/h6-8H,1-5H3/b13-8+
InChIKeySCTXSTAFFBZAHP-MDWZMJQESA-N
MW238.29 g/mol
LogP1.61
Rot. Bonds5

About N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine

N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine (PubChem CID 71536298) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine
PubChem CID71536298
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine
SMILESCOc1cc(OC)c(OC)cc1/C=N/N(C)C
InChIInChI=1S/C12H18N2O3/c1-14(2)13-8-9-6-11(16-4)12(17-5)7-10(9)15-3/h6-8H,1-5H3/b13-8+
InChIKeySCTXSTAFFBZAHP-MDWZMJQESA-N
XLogP1.61
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-1-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 20844132
4-[(dimethylhydrazinylidene)methyl]-2,6-dimethoxyphenol
CID 2344023
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507443
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840063
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
2,3,5,6-tetrafluoro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 3458864
N,N'-bis[(2,4,5-trimethoxyphenyl)methylideneamino]octanediamide
CID 3495405
1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene
CID 6901168
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 96885458

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine (CID 71536298) is N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine is COc1cc(OC)c(OC)cc1/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine?
The InChIKey is SCTXSTAFFBZAHP-MDWZMJQESA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(2)13-8-9-6-11(16-4)12(17-5)7-10(9)15-3/h6-8H,1-5H3/b13-8+.
What are the key properties of N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine?
N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine has a molecular weight of 238.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine is sourced from PubChem (CID 71536298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).