N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C22H29FN2O — CID 58214462

IUPACN'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)(C)C)c2)cc1C
InChIInChI=1S/C22H29FN2O/c1-8-25(7)14-24-20-11-16(3)21(12-15(20)2)26-17-9-10-19(23)18(13-17)22(4,5)6/h9-14H,8H2,1-7H3/b24-14+
InChIKeyHOSULUDEQMLRQT-ZVHZXABRSA-N
MW356.49 g/mol
LogP6.14
Rot. Bonds5

About N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214462) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214462
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC NameN'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)(C)C)c2)cc1C
InChIInChI=1S/C22H29FN2O/c1-8-25(7)14-24-20-11-16(3)21(12-15(20)2)26-17-9-10-19(23)18(13-17)22(4,5)6/h9-14H,8H2,1-7H3/b24-14+
InChIKeyHOSULUDEQMLRQT-ZVHZXABRSA-N
XLogP6.14
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.14
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'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 58214462) is N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)(C)C)c2)cc1C.
What is the InChIKey of N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is HOSULUDEQMLRQT-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-8-25(7)14-24-20-11-16(3)21(12-15(20)2)26-17-9-10-19(23)18(13-17)22(4,5)6/h9-14H,8H2,1-7H3/b24-14+.
What are the key properties of N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 356.49 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).