N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide

C16H18N2O — CID 60548435

IUPACN'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
SMILESCc1ccc(CO/N=C(/N)Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13-7-9-15(10-8-13)12-19-18-16(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18)
InChIKeyQCQUAKPVKQZNLU-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.03
Rot. Bonds5

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

N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide (PubChem CID 60548435) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
PubChem CID60548435
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
SMILESCc1ccc(CO/N=C(/N)Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13-7-9-15(10-8-13)12-19-18-16(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18)
InChIKeyQCQUAKPVKQZNLU-UHFFFAOYSA-N
XLogP3.03
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(hydroxymethyl)phenyl]methoxy]-2-phenylethanimidamide
CID 110005958
2-phenyl-N'-[(4-pyrazol-1-ylphenyl)methoxy]ethanimidamide
CID 60548245
N'-[(3-fluorophenyl)methoxy]-2-phenylethanimidamide
CID 47330986
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide
CID 110005966
[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
methyl 5-[[(E)-(1-amino-2-phenylethylidene)amino]oxymethyl]-3-methylfuran-2-carboxylate
CID 60548216
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide
CID 76867264

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide?
The IUPAC name of N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide (CID 60548435) is N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide.
What is the SMILES notation for N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide?
The canonical SMILES for N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide is Cc1ccc(CO/N=C(/N)Cc2ccccc2)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide?
The InChIKey is QCQUAKPVKQZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13-7-9-15(10-8-13)12-19-18-16(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18).
What are the key properties of N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide?
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide has a molecular weight of 254.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide is sourced from PubChem (CID 60548435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).