N'-amino-2-phenylmethoxybenzenecarboximidamide

C14H15N3O — CID 54032335

IUPACN'-amino-2-phenylmethoxybenzenecarboximidamide
SMILESNN=C(N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C14H15N3O/c15-14(17-16)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,16H2,(H2,15,17)
InChIKeyLGMDFLUPFWIOQT-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.84
Rot. Bonds4

About N'-amino-2-phenylmethoxybenzenecarboximidamide

N'-amino-2-phenylmethoxybenzenecarboximidamide (PubChem CID 54032335) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N'-amino-2-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-phenylmethoxybenzenecarboximidamide
PubChem CID54032335
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN'-amino-2-phenylmethoxybenzenecarboximidamide
SMILESNN=C(N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C14H15N3O/c15-14(17-16)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,16H2,(H2,15,17)
InChIKeyLGMDFLUPFWIOQT-UHFFFAOYSA-N
XLogP1.84
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide
CID 155167235
2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 175042655
2-phenylmethoxybenzoyl chloride
CID 10999355
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate
CID 155167097
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
1-(1-cyclopropylethenyl)-2-phenylmethoxybenzene
CID 175668306
phenacyl 2-phenylmethoxybenzoate
CID 2565163

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-phenylmethoxybenzenecarboximidamide?
The IUPAC name of N'-amino-2-phenylmethoxybenzenecarboximidamide (CID 54032335) is N'-amino-2-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for N'-amino-2-phenylmethoxybenzenecarboximidamide is NN=C(N)c1ccccc1OCc1ccccc1.
What is the InChIKey of N'-amino-2-phenylmethoxybenzenecarboximidamide?
The InChIKey is LGMDFLUPFWIOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(17-16)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,16H2,(H2,15,17).
What are the key properties of N'-amino-2-phenylmethoxybenzenecarboximidamide?
N'-amino-2-phenylmethoxybenzenecarboximidamide has a molecular weight of 241.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 54032335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).