N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide

C12H16N2O2 — CID 135245106

IUPACN'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide
SMILESCOC/C(=N\c1ccccc1C=O)N(C)C
InChIInChI=1S/C12H16N2O2/c1-14(2)12(9-16-3)13-11-7-5-4-6-10(11)8-15/h4-8H,9H2,1-3H3/b13-12+
InChIKeyUNWZIBQXMPASRN-OUKQBFOZSA-N
MW220.27 g/mol
LogP1.74
Rot. Bonds4

About N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide

N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide (PubChem CID 135245106) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide
PubChem CID135245106
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide
SMILESCOC/C(=N\c1ccccc1C=O)N(C)C
InChIInChI=1S/C12H16N2O2/c1-14(2)12(9-16-3)13-11-7-5-4-6-10(11)8-15/h4-8H,9H2,1-3H3/b13-12+
InChIKeyUNWZIBQXMPASRN-OUKQBFOZSA-N
XLogP1.74
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(propan-2-ylideneamino)benzaldehyde
CID 135040375
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-N'-(2-formylphenyl)-N-methylbutanimidamide
CID 144810666
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2-(2-formylphenyl)-1-(4-formylphenyl)guanidine
CID 141046732
2-formylbenzoic acid;methoxymethane
CID 90858085
N'-(2-formyl-6-hydroxyphenyl)-N,N-dimethylmethanimidamide;methoxymethane
CID 163275600
2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide
CID 138464179
ethyl N-[2-(2-formylphenyl)ethyl]-N-methylcarbamate
CID 132598134
N-ethyl-N'-(3-formylnaphthalen-2-yl)-N-methylethanimidamide
CID 177056431
2-formyl-N,N-dimethylbenzenecarboximidamide
CID 57076481
2-(1,2-dimethoxyethyl)benzaldehyde
CID 117275927
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222

Frequently Asked Questions

What is the IUPAC name of N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide?
The IUPAC name of N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide (CID 135245106) is N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide is COC/C(=N\c1ccccc1C=O)N(C)C.
What is the InChIKey of N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide?
The InChIKey is UNWZIBQXMPASRN-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(2)12(9-16-3)13-11-7-5-4-6-10(11)8-15/h4-8H,9H2,1-3H3/b13-12+.
What are the key properties of N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide?
N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide has a molecular weight of 220.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-formylphenyl)-2-methoxy-N,N-dimethylethanimidamide is sourced from PubChem (CID 135245106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).