N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide

C16H18N2O2 — CID 110005958

IUPACN'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
SMILESN/C(Cc1ccccc1)=N/OCc1ccc(CO)cc1
InChIInChI=1S/C16H18N2O2/c17-16(10-13-4-2-1-3-5-13)18-20-12-15-8-6-14(11-19)7-9-15/h1-9,19H,10-12H2,(H2,17,18)
InChIKeyNFQDYEHBPMRQNF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.21
Rot. Bonds6

About N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide

N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide (PubChem CID 110005958) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
PubChem CID110005958
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
SMILESN/C(Cc1ccccc1)=N/OCc1ccc(CO)cc1
InChIInChI=1S/C16H18N2O2/c17-16(10-13-4-2-1-3-5-13)18-20-12-15-8-6-14(11-19)7-9-15/h1-9,19H,10-12H2,(H2,17,18)
InChIKeyNFQDYEHBPMRQNF-UHFFFAOYSA-N
XLogP2.21
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.21
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

N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
N'-[(4-nitrophenyl)methoxy]-2-phenylethanimidamide
CID 52530036
2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide
CID 60548245
N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide
CID 47330986
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915
methyl 5-[[(E)-(1-amino-2-phenylethylidene)amino]oxymethyl]-3-methylfuran-2-carboxylate
CID 60548216
3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
CID 110005979
[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide?
The IUPAC name of N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide (CID 110005958) is N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide.
What is the SMILES notation for N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide?
The canonical SMILES for N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide is N/C(Cc1ccccc1)=N/OCc1ccc(CO)cc1.
What is the InChIKey of N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide?
The InChIKey is NFQDYEHBPMRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16(10-13-4-2-1-3-5-13)18-20-12-15-8-6-14(11-19)7-9-15/h1-9,19H,10-12H2,(H2,17,18).
What are the key properties of N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide?
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide has a molecular weight of 270.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide is sourced from PubChem (CID 110005958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).