4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride

C15H18ClN3O — CID 57487780

IUPAC4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
SMILESCl.NCc1ccc(/C(N)=N/OCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O.ClH/c16-10-12-6-8-14(9-7-12)15(17)18-19-11-13-4-2-1-3-5-13;/h1-9H,10-11,16H2,(H2,17,18);1H
InChIKeyUNTRRCLKZIQTDX-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.40
Rot. Bonds5

About 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride

4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride (PubChem CID 57487780) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
PubChem CID57487780
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
SMILESCl.NCc1ccc(/C(N)=N/OCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O.ClH/c16-10-12-6-8-14(9-7-12)15(17)18-19-11-13-4-2-1-3-5-13;/h1-9H,10-11,16H2,(H2,17,18);1H
InChIKeyUNTRRCLKZIQTDX-UHFFFAOYSA-N
XLogP2.40
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.40
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-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 2479295
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
CID 3063603
N'-phenylmethoxybicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carboximidamide;hydrochloride
CID 88825651
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
CID 174688914
CID 174688914
phenylmethanamine
CID 19864074
3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
CID 110005979

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride (CID 57487780) is 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride is Cl.NCc1ccc(/C(N)=N/OCc2ccccc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride?
The InChIKey is UNTRRCLKZIQTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.ClH/c16-10-12-6-8-14(9-7-12)15(17)18-19-11-13-4-2-1-3-5-13;/h1-9H,10-11,16H2,(H2,17,18);1H.
What are the key properties of 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride?
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 57487780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).