4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide

C15H15BrN2O — CID 23551915

IUPAC4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
SMILESN/C(=N/OCc1ccccc1)c1ccc(CBr)cc1
InChIInChI=1S/C15H15BrN2O/c16-10-12-6-8-14(9-7-12)15(17)18-19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,18)
InChIKeyCUHJPTUEWCHBDM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.42
Rot. Bonds5

About 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide

4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide (PubChem CID 23551915) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
PubChem CID23551915
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
SMILESN/C(=N/OCc1ccccc1)c1ccc(CBr)cc1
InChIInChI=1S/C15H15BrN2O/c16-10-12-6-8-14(9-7-12)15(17)18-19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,18)
InChIKeyCUHJPTUEWCHBDM-UHFFFAOYSA-N
XLogP3.42
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 2479295
3-[(Z)-N'-phenylmethoxycarbamimidoyl]benzoic acid
CID 142953452
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
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
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
1,5-diphenyl-1-N,3-N,5-N-tris(phenylmethoxy)pentane-1,3,5-triimine
CID 87328446
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide?
The IUPAC name of 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide (CID 23551915) is 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide is N/C(=N/OCc1ccccc1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide?
The InChIKey is CUHJPTUEWCHBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-10-12-6-8-14(9-7-12)15(17)18-19-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,18).
What are the key properties of 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide?
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide has a molecular weight of 319.20 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 23551915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).