N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide

C19H18N2O — CID 20706441

IUPACN'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide
SMILESCOc1ccccc1C/N=C(\N)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O/c1-22-18-9-5-4-8-17(18)13-21-19(20)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H2,20,21)
InChIKeyUSUBDEASZCSAFD-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.75
Rot. Bonds4

About N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide

N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide (PubChem CID 20706441) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide
PubChem CID20706441
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide
SMILESCOc1ccccc1C/N=C(\N)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O/c1-22-18-9-5-4-8-17(18)13-21-19(20)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H2,20,21)
InChIKeyUSUBDEASZCSAFD-UHFFFAOYSA-N
XLogP3.75
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.75
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide (CID 20706441) is N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide is COc1ccccc1C/N=C(\N)c1ccc2ccccc2c1.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide?
The InChIKey is USUBDEASZCSAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-22-18-9-5-4-8-17(18)13-21-19(20)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H2,20,21).
What are the key properties of N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide?
N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 20706441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).