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

C23H31FN2O — CID 66840512

IUPACN'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
SMILESCCN(/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)(C)C)c2)cc1C)CC
InChIInChI=1S/C23H31FN2O/c1-8-26(9-2)15-25-21-12-17(4)22(13-16(21)3)27-18-10-11-20(24)19(14-18)23(5,6)7/h10-15H,8-9H2,1-7H3/b25-15+
InChIKeyJEATUPZLQXSWLZ-MFKUBSTISA-N
MW370.51 g/mol
LogP6.53
Rot. Bonds6

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

N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide (PubChem CID 66840512) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
PubChem CID66840512
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC NameN'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
SMILESCCN(/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)(C)C)c2)cc1C)CC
InChIInChI=1S/C23H31FN2O/c1-8-26(9-2)15-25-21-12-17(4)22(13-16(21)3)27-18-10-11-20(24)19(14-18)23(5,6)7/h10-15H,8-9H2,1-7H3/b25-15+
InChIKeyJEATUPZLQXSWLZ-MFKUBSTISA-N
XLogP6.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.51
LogP ≤ 56.53
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,N-diethylmethanimidamide?
The IUPAC name of N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide (CID 66840512) is N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide.
What is the SMILES notation for N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide?
The canonical SMILES for N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide is CCN(/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)(C)C)c2)cc1C)CC.
What is the InChIKey of N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide?
The InChIKey is JEATUPZLQXSWLZ-MFKUBSTISA-N. The full InChI is InChI=1S/C23H31FN2O/c1-8-26(9-2)15-25-21-12-17(4)22(13-16(21)3)27-18-10-11-20(24)19(14-18)23(5,6)7/h10-15H,8-9H2,1-7H3/b25-15+.
What are the key properties of N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide?
N'-[4-(3-tert-butyl-4-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide has a molecular weight of 370.51 g/mol, XLogP of 6.53, 6 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,N-diethylmethanimidamide is sourced from PubChem (CID 66840512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).