N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C19H24FN3 — CID 146197726

IUPACN'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(Nc2cc(C)ccc2C)cc1C
InChIInChI=1S/C19H24FN3/c1-6-23(5)12-21-17-11-16(20)19(10-15(17)4)22-18-9-13(2)7-8-14(18)3/h7-12,22H,6H2,1-5H3/b21-12+
InChIKeyRFPGETFCRNCQOC-CIAFOILYSA-N
MW313.42 g/mol
LogP5.11
Rot. Bonds5

About N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146197726) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146197726
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC NameN'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(Nc2cc(C)ccc2C)cc1C
InChIInChI=1S/C19H24FN3/c1-6-23(5)12-21-17-11-16(20)19(10-15(17)4)22-18-9-13(2)7-8-14(18)3/h7-12,22H,6H2,1-5H3/b21-12+
InChIKeyRFPGETFCRNCQOC-CIAFOILYSA-N
XLogP5.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
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'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 146197726) is N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(Nc2cc(C)ccc2C)cc1C.
What is the InChIKey of N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is RFPGETFCRNCQOC-CIAFOILYSA-N. The full InChI is InChI=1S/C19H24FN3/c1-6-23(5)12-21-17-11-16(20)19(10-15(17)4)22-18-9-13(2)7-8-14(18)3/h7-12,22H,6H2,1-5H3/b21-12+.
What are the key properties of N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 313.42 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146197726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).