2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide

C16H18N2O3 — CID 107743296

IUPAC2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1ccc(CO)cc1OC
InChIInChI=1S/C16H18N2O3/c1-10-4-3-5-12(16(17)18)15(10)21-13-7-6-11(9-19)8-14(13)20-2/h3-8,19H,9H2,1-2H3,(H3,17,18)
InChIKeyCLJXHYFGRPLYTD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide

2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide (PubChem CID 107743296) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
PubChem CID107743296
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1ccc(CO)cc1OC
InChIInChI=1S/C16H18N2O3/c1-10-4-3-5-12(16(17)18)15(10)21-13-7-6-11(9-19)8-14(13)20-2/h3-8,19H,9H2,1-2H3,(H3,17,18)
InChIKeyCLJXHYFGRPLYTD-UHFFFAOYSA-N
XLogP2.57
TPSA88.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743256
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
3-fluoro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743283
6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-3-carboximidamide
CID 107743265
3-amino-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzoic acid
CID 107744126
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
[3-bromo-4-(2,6-dimethylphenoxy)phenyl]methanol
CID 139341756
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide (CID 107743296) is 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1Oc1ccc(CO)cc1OC.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide?
The InChIKey is CLJXHYFGRPLYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-3-5-12(16(17)18)15(10)21-13-7-6-11(9-19)8-14(13)20-2/h3-8,19H,9H2,1-2H3,(H3,17,18).
What are the key properties of 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide?
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107743296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).