4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide

C15H17N3O — CID 57487781

IUPAC4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
SMILESNCc1ccc(/C(N)=N/OCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O/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)
InChIKeyHZFVZMWKPPFGRP-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.98
Rot. Bonds5

About 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide

4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide (PubChem CID 57487781) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
PubChem CID57487781
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
SMILESNCc1ccc(/C(N)=N/OCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O/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)
InChIKeyHZFVZMWKPPFGRP-UHFFFAOYSA-N
XLogP1.98
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.98
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;hydrochloride
CID 57487780
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
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
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
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
phenylmethanamine
CID 19864074
3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
CID 110005979
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide?
The IUPAC name of 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide (CID 57487781) is 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide is NCc1ccc(/C(N)=N/OCc2ccccc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide?
The InChIKey is HZFVZMWKPPFGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/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).
What are the key properties of 4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide?
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide has a molecular weight of 255.32 g/mol, XLogP of 1.98, 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 is sourced from PubChem (CID 57487781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).