3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide

C16H18N2O2 — CID 107709017

IUPAC3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccc(CCO)cc2)c1
InChIInChI=1S/C16H18N2O2/c17-16(18)14-3-1-2-13(10-14)11-20-15-6-4-12(5-7-15)8-9-19/h1-7,10,19H,8-9,11H2,(H3,17,18)
InChIKeyOJFGGNGJMIRAND-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.08
Rot. Bonds6

About 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide

3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide (PubChem CID 107709017) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
PubChem CID107709017
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COc2ccc(CCO)cc2)c1
InChIInChI=1S/C16H18N2O2/c17-16(18)14-3-1-2-13(10-14)11-20-15-6-4-12(5-7-15)8-9-19/h1-7,10,19H,8-9,11H2,(H3,17,18)
InChIKeyOJFGGNGJMIRAND-UHFFFAOYSA-N
XLogP2.08
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide 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

3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107712654
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
3-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331398
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
3-[(5-chloro-3-pyridinyl)oxymethyl]benzenecarboximidamide
CID 64602541
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
CID 73355195
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide (CID 107709017) is 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COc2ccc(CCO)cc2)c1.
What is the InChIKey of 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide?
The InChIKey is OJFGGNGJMIRAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16(18)14-3-1-2-13(10-14)11-20-15-6-4-12(5-7-15)8-9-19/h1-7,10,19H,8-9,11H2,(H3,17,18).
What are the key properties of 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide?
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide is sourced from PubChem (CID 107709017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).