N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide

C16H18N2O — CID 69044996

IUPACN-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide
SMILESC/N=C/Nc1cc(C)c(Oc2ccccc2)cc1C
InChIInChI=1S/C16H18N2O/c1-12-10-16(19-14-7-5-4-6-8-14)13(2)9-15(12)18-11-17-3/h4-11H,1-3H3,(H,17,18)
InChIKeyWFTOYQZUROYHCJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.17
Rot. Bonds4

About N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide

N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide (PubChem CID 69044996) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide
PubChem CID69044996
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide
SMILESC/N=C/Nc1cc(C)c(Oc2ccccc2)cc1C
InChIInChI=1S/C16H18N2O/c1-12-10-16(19-14-7-5-4-6-8-14)13(2)9-15(12)18-11-17-3/h4-11H,1-3H3,(H,17,18)
InChIKeyWFTOYQZUROYHCJ-UHFFFAOYSA-N
XLogP4.17
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
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-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide?
The IUPAC name of N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide (CID 69044996) is N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide?
The canonical SMILES for N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide is C/N=C/Nc1cc(C)c(Oc2ccccc2)cc1C.
What is the InChIKey of N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide?
The InChIKey is WFTOYQZUROYHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-10-16(19-14-7-5-4-6-8-14)13(2)9-15(12)18-11-17-3/h4-11H,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide?
N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide has a molecular weight of 254.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-4-phenoxyphenyl)-N'-methylmethanimidamide is sourced from PubChem (CID 69044996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).