ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide

C13H19FN2O — CID 176688125

IUPACethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide
SMILESCC.CCN(C)/C=N/c1ccc(F)cc1C=O
InChIInChI=1S/C11H13FN2O.C2H6/c1-3-14(2)8-13-11-5-4-10(12)6-9(11)7-15;1-2/h4-8H,3H2,1-2H3;1-2H3/b13-8+;
InChIKeyFHJAVAFOVPLCBF-FNXZNAJJSA-N
MW238.31 g/mol
LogP3.28
Rot. Bonds4

About ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide

ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide (PubChem CID 176688125) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide.

Molecular Properties

Compound Nameethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide
PubChem CID176688125
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Nameethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide
SMILESCC.CCN(C)/C=N/c1ccc(F)cc1C=O
InChIInChI=1S/C11H13FN2O.C2H6/c1-3-14(2)8-13-11-5-4-10(12)6-9(11)7-15;1-2/h4-8H,3H2,1-2H3;1-2H3/b13-8+;
InChIKeyFHJAVAFOVPLCBF-FNXZNAJJSA-N
XLogP3.28
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N'-[3-(2,4-difluoro-N-methylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154648101
N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
CID 146197682
N'-[4-[2-(2-chloro-5-fluoro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362603
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
(3-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,3-dimethylbenzoate
CID 155325082
N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
CID 176923353
N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197861
(2,4,6-trifluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,3-dimethylbenzoate
CID 155325447
N-ethyl-N'-[4-[2-(4-ethylphenyl)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 163372451
N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide
CID 154647678
N'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647967
N-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 150453946

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide?
The IUPAC name of ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide (CID 176688125) is ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide.
What is the SMILES notation for ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide?
The canonical SMILES for ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide is CC.CCN(C)/C=N/c1ccc(F)cc1C=O.
What is the InChIKey of ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide?
The InChIKey is FHJAVAFOVPLCBF-FNXZNAJJSA-N. The full InChI is InChI=1S/C11H13FN2O.C2H6/c1-3-14(2)8-13-11-5-4-10(12)6-9(11)7-15;1-2/h4-8H,3H2,1-2H3;1-2H3/b13-8+;.
What are the key properties of ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide?
ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide has a molecular weight of 238.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide is sourced from PubChem (CID 176688125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).