(Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine

C11H14FNO2 — CID 177428425

IUPAC(Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine
SMILESCOC/C(=N\OC)c1ccc(C)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-8-4-5-9(6-10(8)12)11(7-14-2)13-15-3/h4-6H,7H2,1-3H3/b13-11+
InChIKeyPTPJVCOFRVTOQZ-ACCUITESSA-N
MW211.24 g/mol
LogP2.13
Rot. Bonds4

About (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine

(Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine (PubChem CID 177428425) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine.

Molecular Properties

Compound Name(Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine
PubChem CID177428425
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine
SMILESCOC/C(=N\OC)c1ccc(C)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-8-4-5-9(6-10(8)12)11(7-14-2)13-15-3/h4-6H,7H2,1-3H3/b13-11+
InChIKeyPTPJVCOFRVTOQZ-ACCUITESSA-N
XLogP2.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
(2E)-2-[2-[[(Z)-[1-(3,4-difluorophenyl)-2-methoxyethylidene]amino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 172562935
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
1-(3-fluoro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 107129938
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699
3-fluoro-4-methyl-N-oxobenzamide
CID 126760596
1-(3-fluoro-4-methylphenyl)ethenamine
CID 129060192
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810
2-amino-1-(3-fluoro-4-methylphenyl)ethanone;methyl 3-fluoro-4-methylbenzoate
CID 160772754
(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
CID 21345733
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine?
The IUPAC name of (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine (CID 177428425) is (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine.
What is the SMILES notation for (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine?
The canonical SMILES for (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine is COC/C(=N\OC)c1ccc(C)c(F)c1.
What is the InChIKey of (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine?
The InChIKey is PTPJVCOFRVTOQZ-ACCUITESSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-4-5-9(6-10(8)12)11(7-14-2)13-15-3/h4-6H,7H2,1-3H3/b13-11+.
What are the key properties of (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine?
(Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine has a molecular weight of 211.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine is sourced from PubChem (CID 177428425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).