4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide

C17H20N2O2 — CID 69044525

IUPAC4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C)c(Oc2cccc(CO)c2)cc1C
InChIInChI=1S/C17H20N2O2/c1-11-8-16(12(2)7-15(11)17(18)19-3)21-14-6-4-5-13(9-14)10-20/h4-9,20H,10H2,1-3H3,(H2,18,19)
InChIKeyUEIVYOSCBSAQCL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds4

About 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide

4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide (PubChem CID 69044525) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide
PubChem CID69044525
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C)c(Oc2cccc(CO)c2)cc1C
InChIInChI=1S/C17H20N2O2/c1-11-8-16(12(2)7-15(11)17(18)19-3)21-14-6-4-5-13(9-14)10-20/h4-9,20H,10H2,1-3H3,(H2,18,19)
InChIKeyUEIVYOSCBSAQCL-UHFFFAOYSA-N
XLogP2.92
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide?
The IUPAC name of 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide (CID 69044525) is 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide?
The canonical SMILES for 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide is C/N=C(\N)c1cc(C)c(Oc2cccc(CO)c2)cc1C.
What is the InChIKey of 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide?
The InChIKey is UEIVYOSCBSAQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-8-16(12(2)7-15(11)17(18)19-3)21-14-6-4-5-13(9-14)10-20/h4-9,20H,10H2,1-3H3,(H2,18,19).
What are the key properties of 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide?
4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)phenoxy]-N',2,5-trimethylbenzenecarboximidamide is sourced from PubChem (CID 69044525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).