N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C19H23F2N3O — CID 142322836

IUPACN'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Nc2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C19H23F2N3O/c1-5-24(4)12-22-17-9-14(3)18(10-13(17)2)23-15-7-6-8-16(11-15)25-19(20)21/h6-12,19,23H,5H2,1-4H3/b22-12+
InChIKeyUOSOWZSRAWCPNU-WSDLNYQXSA-N
MW347.41 g/mol
LogP5.26
Rot. Bonds7

About N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 142322836) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID142322836
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC NameN'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Nc2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C19H23F2N3O/c1-5-24(4)12-22-17-9-14(3)18(10-13(17)2)23-15-7-6-8-16(11-15)25-19(20)21/h6-12,19,23H,5H2,1-4H3/b22-12+
InChIKeyUOSOWZSRAWCPNU-WSDLNYQXSA-N
XLogP5.26
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[2,5-dimethyl-4-[4-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197813
N'-[4-(3,5-difluoroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197916
[4-(difluoromethoxy)phenyl]methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate;oxalic acid
CID 172580439
N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197726
N'-[4-[(4-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146381292
N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 69048408
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197787
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154017909
N'-[2,5-dimethyl-6-(3-propanoylphenoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 25157057

Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 142322836) is N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Nc2cccc(OC(F)F)c2)cc1C.
What is the InChIKey of N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is UOSOWZSRAWCPNU-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-5-24(4)12-22-17-9-14(3)18(10-13(17)2)23-15-7-6-8-16(11-15)25-19(20)21/h6-12,19,23H,5H2,1-4H3/b22-12+.
What are the key properties of N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 347.41 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 142322836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).