N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide

C19H24FN3O2 — CID 154647748

IUPACN-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)cc(Nc2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C19H24FN3O2/c1-6-23(3)12-21-17-10-15(24-4)11-18(13(17)2)22-14-7-8-19(25-5)16(20)9-14/h7-12,22H,6H2,1-5H3/b21-12+
InChIKeyFHKNDJQBFOFIPI-CIAFOILYSA-N
MW345.42 g/mol
LogP4.51
Rot. Bonds7

About N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide (PubChem CID 154647748) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
PubChem CID154647748
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)cc(Nc2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C19H24FN3O2/c1-6-23(3)12-21-17-10-15(24-4)11-18(13(17)2)22-14-7-8-19(25-5)16(20)9-14/h7-12,22H,6H2,1-5H3/b21-12+
InChIKeyFHKNDJQBFOFIPI-CIAFOILYSA-N
XLogP4.51
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-chloro-4-(4-fluoro-3-methoxyanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322849
N'-[3-(3-chloro-5-fluoroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647865
N-ethyl-N'-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]phenyl]-N-methylmethanimidamide
CID 154647614
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
N'-[4-[4-(difluoromethylsulfanyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322828
N-ethyl-N'-[7-(2-methoxyanilino)-2,3-dihydro-1H-inden-4-yl]-N-methylmethanimidamide
CID 150769189
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
(4,5-difluoro-2-methoxyphenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155324766
N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide
CID 43380729
4-bromo-2-(3-fluoro-4-methoxyanilino)benzonitrile
CID 114901444
2-N-ethyl-3-[(3-fluoro-4-methoxyanilino)methyl]-4-methoxy-2-N-methylbenzene-1,2-diamine
CID 146643808
4-(3-fluoro-4-methoxyanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060556

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide (CID 154647748) is N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)cc(Nc2ccc(OC)c(F)c2)c1C.
What is the InChIKey of N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide?
The InChIKey is FHKNDJQBFOFIPI-CIAFOILYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-6-23(3)12-21-17-10-15(24-4)11-18(13(17)2)22-14-7-8-19(25-5)16(20)9-14/h7-12,22H,6H2,1-5H3/b21-12+.
What are the key properties of N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide has a molecular weight of 345.42 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(3-fluoro-4-methoxyanilino)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 154647748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).