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

C15H16N2O2 — CID 107709008

IUPAC4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(CCO)cc2)cc1
InChIInChI=1S/C15H16N2O2/c16-15(17)12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)9-10-18/h1-8,18H,9-10H2,(H3,16,17)
InChIKeyHBURDNMVDBSATB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.30
Rot. Bonds5

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

4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (PubChem CID 107709008) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
PubChem CID107709008
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(CCO)cc2)cc1
InChIInChI=1S/C15H16N2O2/c16-15(17)12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)9-10-18/h1-8,18H,9-10H2,(H3,16,17)
InChIKeyHBURDNMVDBSATB-UHFFFAOYSA-N
XLogP2.30
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.30
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'}

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Related Compounds

4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708988
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
3-[4-(aminomethyl)phenoxy]-5-(4-carbamimidoylphenoxy)benzamide
CID 68787822
hydrazine;4-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938635
4-aminooxybenzenecarboximidamide
CID 10441869

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide (CID 107709008) is 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(CCO)cc2)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
The InChIKey is HBURDNMVDBSATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-15(17)12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)9-10-18/h1-8,18H,9-10H2,(H3,16,17).
What are the key properties of 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide?
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide has a molecular weight of 256.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide is sourced from PubChem (CID 107709008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).