N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide

C22H29FN2O — CID 66841119

IUPACN,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide
SMILESCCN(/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)C)c2)cc1C)CC
InChIInChI=1S/C22H29FN2O/c1-7-25(8-2)14-24-21-11-17(6)22(12-16(21)5)26-18-9-10-20(23)19(13-18)15(3)4/h9-15H,7-8H2,1-6H3/b24-14+
InChIKeyNHFDINYGZRAQRB-ZVHZXABRSA-N
MW356.49 g/mol
LogP6.36
Rot. Bonds7

About N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide

N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide (PubChem CID 66841119) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide
PubChem CID66841119
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC NameN,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide
SMILESCCN(/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)C)c2)cc1C)CC
InChIInChI=1S/C22H29FN2O/c1-7-25(8-2)14-24-21-11-17(6)22(12-16(21)5)26-18-9-10-20(23)19(13-18)15(3)4/h9-15H,7-8H2,1-6H3/b24-14+
InChIKeyNHFDINYGZRAQRB-ZVHZXABRSA-N
XLogP6.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.36
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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Related Compounds

N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 9800254
N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 9841322
N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N,N-diethylmethanimidamide
CID 9863869
N-cyano-N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]methanimidamide
CID 9884059
N'-[2,6-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanimidamide
CID 9905791
N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 10248439
N'-[4-[4-cyano-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 10362100
N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide
CID 11693263
N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]methanimidamide
CID 17904639
1-Ethyl-4-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenyl]piperazine
CID 21708152
N'-tert-butyl-N-[4-(2-fluorophenoxy)-2,6-di(propan-2-yl)phenyl]methanediimine
CID 21750445
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 22481240

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide?
The IUPAC name of N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide (CID 66841119) is N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide.
What is the SMILES notation for N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide?
The canonical SMILES for N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide is CCN(/C=N/c1cc(C)c(Oc2ccc(F)c(C(C)C)c2)cc1C)CC.
What is the InChIKey of N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide?
The InChIKey is NHFDINYGZRAQRB-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-7-25(8-2)14-24-21-11-17(6)22(12-16(21)5)26-18-9-10-20(23)19(13-18)15(3)4/h9-15H,7-8H2,1-6H3/b24-14+.
What are the key properties of N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide?
N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide has a molecular weight of 356.49 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-[4-(4-fluoro-3-propan-2-ylphenoxy)-2,5-dimethylphenyl]methanimidamide is sourced from PubChem (CID 66841119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).