N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide

C19H22F2N2O — CID 68589584

IUPACN'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
SMILESCCCN(C)/C=N/c1cc(C)c(Oc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C19H22F2N2O/c1-5-6-23(4)12-22-18-7-14(3)19(8-13(18)2)24-17-10-15(20)9-16(21)11-17/h7-12H,5-6H2,1-4H3/b22-12+
InChIKeyPDUCNNURUJQESH-WSDLNYQXSA-N
MW332.39 g/mol
LogP5.38
Rot. Bonds6

About N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide

N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide (PubChem CID 68589584) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
PubChem CID68589584
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC NameN'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
SMILESCCCN(C)/C=N/c1cc(C)c(Oc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C19H22F2N2O/c1-5-6-23(4)12-22-18-7-14(3)19(8-13(18)2)24-17-10-15(20)9-16(21)11-17/h7-12H,5-6H2,1-4H3/b22-12+
InChIKeyPDUCNNURUJQESH-WSDLNYQXSA-N
XLogP5.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.39
LogP ≤ 55.38
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-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide?
The IUPAC name of N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide (CID 68589584) is N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide.
What is the SMILES notation for N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide?
The canonical SMILES for N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide is CCCN(C)/C=N/c1cc(C)c(Oc2cc(F)cc(F)c2)cc1C.
What is the InChIKey of N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide?
The InChIKey is PDUCNNURUJQESH-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-5-6-23(4)12-22-18-7-14(3)19(8-13(18)2)24-17-10-15(20)9-16(21)11-17/h7-12H,5-6H2,1-4H3/b22-12+.
What are the key properties of N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide?
N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide has a molecular weight of 332.39 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide is sourced from PubChem (CID 68589584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).