4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide

C15H16N2O2 — CID 74062145

IUPAC4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
SMILESNC(=NOCc1ccccc1)c1ccc(CO)cc1
InChIInChI=1S/C15H16N2O2/c16-15(14-8-6-12(10-18)7-9-14)17-19-11-13-4-2-1-3-5-13/h1-9,18H,10-11H2,(H2,16,17)
InChIKeyOHFJXXDXJBLKMT-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.02
Rot. Bonds5

About 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide

4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide (PubChem CID 74062145) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
PubChem CID74062145
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
SMILESNC(=NOCc1ccccc1)c1ccc(CO)cc1
InChIInChI=1S/C15H16N2O2/c16-15(14-8-6-12(10-18)7-9-14)17-19-11-13-4-2-1-3-5-13/h1-9,18H,10-11H2,(H2,16,17)
InChIKeyOHFJXXDXJBLKMT-UHFFFAOYSA-N
XLogP2.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.02
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
CID 110005979
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 2479295
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
O-[[4-(hydroxymethyl)phenyl]methyl] benzenecarbothioate
CID 18930839
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride
CID 88825651
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide?
The IUPAC name of 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide (CID 74062145) is 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide is NC(=NOCc1ccccc1)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide?
The InChIKey is OHFJXXDXJBLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-15(14-8-6-12(10-18)7-9-14)17-19-11-13-4-2-1-3-5-13/h1-9,18H,10-11H2,(H2,16,17).
What are the key properties of 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide?
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide has a molecular weight of 256.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 74062145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).