N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide

C18H22FN3 — CID 142322784

IUPACN-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(N(C)c2ccccc2)cc1C
InChIInChI=1S/C18H22FN3/c1-5-21(3)13-20-17-12-16(19)18(11-14(17)2)22(4)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3/b20-13+
InChIKeyMRUIHVFZTOYPFG-DEDYPNTBSA-N
MW299.39 g/mol
LogP4.51
Rot. Bonds5

About N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide

N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide (PubChem CID 142322784) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide
PubChem CID142322784
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC NameN-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(N(C)c2ccccc2)cc1C
InChIInChI=1S/C18H22FN3/c1-5-21(3)13-20-17-12-16(19)18(11-14(17)2)22(4)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3/b20-13+
InChIKeyMRUIHVFZTOYPFG-DEDYPNTBSA-N
XLogP4.51
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide (CID 142322784) is N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(N(C)c2ccccc2)cc1C.
What is the InChIKey of N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide?
The InChIKey is MRUIHVFZTOYPFG-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H22FN3/c1-5-21(3)13-20-17-12-16(19)18(11-14(17)2)22(4)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3/b20-13+.
What are the key properties of N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide?
N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide has a molecular weight of 299.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-fluoro-2-methyl-4-(N-methylanilino)phenyl]-N-methylmethanimidamide is sourced from PubChem (CID 142322784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).