N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride

C16H15ClN2O — CID 88825651

IUPACN'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride
SMILESCl.NC(=NOCc1ccccc1)C1=Cc2ccccc21
InChIInChI=1S/C16H14N2O.ClH/c17-16(15-10-13-8-4-5-9-14(13)15)18-19-11-12-6-2-1-3-7-12;/h1-10H,11H2,(H2,17,18);1H
InChIKeyUURFKNLQMIXFFG-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.45
Rot. Bonds4

About N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride

N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride (PubChem CID 88825651) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride
PubChem CID88825651
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride
SMILESCl.NC(=NOCc1ccccc1)C1=Cc2ccccc21
InChIInChI=1S/C16H14N2O.ClH/c17-16(15-10-13-8-4-5-9-14(13)15)18-19-11-12-6-2-1-3-7-12;/h1-10H,11H2,(H2,17,18);1H
InChIKeyUURFKNLQMIXFFG-UHFFFAOYSA-N
XLogP3.45
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;hydrochloride
CID 57487780
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 2479295
2-hydroxy-3-phenyl-N'-phenylmethoxypropanimidamide
CID 11346261
bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboxamide
CID 45084239
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295

Frequently Asked Questions

What is the IUPAC name of N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride?
The IUPAC name of N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride (CID 88825651) is N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride.
What is the SMILES notation for N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride?
The canonical SMILES for N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride is Cl.NC(=NOCc1ccccc1)C1=Cc2ccccc21.
What is the InChIKey of N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride?
The InChIKey is UURFKNLQMIXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.ClH/c17-16(15-10-13-8-4-5-9-14(13)15)18-19-11-12-6-2-1-3-7-12;/h1-10H,11H2,(H2,17,18);1H.
What are the key properties of N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride?
N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride is sourced from PubChem (CID 88825651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).