N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide

C18H22N2O — CID 135370963

IUPACN-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide
SMILES[H]/N=C(/c1cc(C)c(Oc2ccccc2)cc1C)N(C)CC
InChIInChI=1S/C18H22N2O/c1-5-20(4)18(19)16-11-14(3)17(12-13(16)2)21-15-9-7-6-8-10-15/h6-12,19H,5H2,1-4H3/b19-18-
InChIKeyXREGOUWEQWIIME-HNENSFHCSA-N
MW282.39 g/mol
LogP4.37
Rot. Bonds4

About N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide

N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide (PubChem CID 135370963) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide.

Molecular Properties

Compound NameN-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide
PubChem CID135370963
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide
SMILES[H]/N=C(/c1cc(C)c(Oc2ccccc2)cc1C)N(C)CC
InChIInChI=1S/C18H22N2O/c1-5-20(4)18(19)16-11-14(3)17(12-13(16)2)21-15-9-7-6-8-10-15/h6-12,19H,5H2,1-4H3/b19-18-
InChIKeyXREGOUWEQWIIME-HNENSFHCSA-N
XLogP4.37
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.37
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-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide?
The IUPAC name of N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide (CID 135370963) is N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide.
What is the SMILES notation for N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide?
The canonical SMILES for N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide is [H]/N=C(/c1cc(C)c(Oc2ccccc2)cc1C)N(C)CC.
What is the InChIKey of N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide?
The InChIKey is XREGOUWEQWIIME-HNENSFHCSA-N. The full InChI is InChI=1S/C18H22N2O/c1-5-20(4)18(19)16-11-14(3)17(12-13(16)2)21-15-9-7-6-8-10-15/h6-12,19H,5H2,1-4H3/b19-18-.
What are the key properties of N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide?
N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide has a molecular weight of 282.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2,5-trimethyl-4-phenoxybenzenecarboximidamide is sourced from PubChem (CID 135370963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).