2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide

C18H22N2O — CID 135371153

IUPAC2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1cc(C)c(Oc2ccccc2)cc1C
InChIInChI=1S/C18H22N2O/c1-4-10-20-18(19)16-11-14(3)17(12-13(16)2)21-15-8-6-5-7-9-15/h5-9,11-12H,4,10H2,1-3H3,(H2,19,20)
InChIKeyCEYOYTILGMZAHK-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.21
Rot. Bonds5

About 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide

2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide (PubChem CID 135371153) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide
PubChem CID135371153
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\N)c1cc(C)c(Oc2ccccc2)cc1C
InChIInChI=1S/C18H22N2O/c1-4-10-20-18(19)16-11-14(3)17(12-13(16)2)21-15-8-6-5-7-9-15/h5-9,11-12H,4,10H2,1-3H3,(H2,19,20)
InChIKeyCEYOYTILGMZAHK-UHFFFAOYSA-N
XLogP4.21
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.21
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 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide?
The IUPAC name of 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide (CID 135371153) is 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide?
The canonical SMILES for 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide is CCC/N=C(\N)c1cc(C)c(Oc2ccccc2)cc1C.
What is the InChIKey of 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide?
The InChIKey is CEYOYTILGMZAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-10-20-18(19)16-11-14(3)17(12-13(16)2)21-15-8-6-5-7-9-15/h5-9,11-12H,4,10H2,1-3H3,(H2,19,20).
What are the key properties of 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide?
2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide has a molecular weight of 282.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-phenoxy-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 135371153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).