N'-(2-methylphenyl)naphthalene-2-carboximidamide

C18H16N2 — CID 90076773

IUPACN'-(2-methylphenyl)naphthalene-2-carboximidamide
SMILESCc1ccccc1/N=C(\N)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N2/c1-13-6-2-5-9-17(13)20-18(19)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H2,19,20)
InChIKeyQBOALGFIKSJWBV-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.19
Rot. Bonds2

About N'-(2-methylphenyl)naphthalene-2-carboximidamide

N'-(2-methylphenyl)naphthalene-2-carboximidamide (PubChem CID 90076773) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-(2-methylphenyl)naphthalene-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)naphthalene-2-carboximidamide
PubChem CID90076773
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC NameN'-(2-methylphenyl)naphthalene-2-carboximidamide
SMILESCc1ccccc1/N=C(\N)c1ccc2ccccc2c1
InChIInChI=1S/C18H16N2/c1-13-6-2-5-9-17(13)20-18(19)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H2,19,20)
InChIKeyQBOALGFIKSJWBV-UHFFFAOYSA-N
XLogP4.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethylidene)-N'-(2-methylphenyl)naphthalene-2-carboximidamide
CID 118014666
N'-(methylamino)naphthalene-2-carboximidamide
CID 143768408
4-methyl-N'-naphthalen-2-ylbenzenecarboximidamide
CID 12647669
phenyl N'-(2-methylphenyl)carbamimidate
CID 142151989
2-methylaniline;naphthalene-2-carboxamide
CID 67824326
(Z)-1-naphthalen-2-ylprop-1-en-1-amine
CID 21343656
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
N'-[N-(2-methylphenyl)-C-propylcarbonimidoyl]-3-phenylbenzenecarboximidamide
CID 121440323
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
naphthalene-2-carboxylic acid
CID 175967775
N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide
CID 142766272
N'-(2-methylphenyl)indole-1-carboximidamide
CID 22627554

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)naphthalene-2-carboximidamide?
The IUPAC name of N'-(2-methylphenyl)naphthalene-2-carboximidamide (CID 90076773) is N'-(2-methylphenyl)naphthalene-2-carboximidamide.
What is the SMILES notation for N'-(2-methylphenyl)naphthalene-2-carboximidamide?
The canonical SMILES for N'-(2-methylphenyl)naphthalene-2-carboximidamide is Cc1ccccc1/N=C(\N)c1ccc2ccccc2c1.
What is the InChIKey of N'-(2-methylphenyl)naphthalene-2-carboximidamide?
The InChIKey is QBOALGFIKSJWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-13-6-2-5-9-17(13)20-18(19)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H2,19,20).
What are the key properties of N'-(2-methylphenyl)naphthalene-2-carboximidamide?
N'-(2-methylphenyl)naphthalene-2-carboximidamide has a molecular weight of 260.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)naphthalene-2-carboximidamide is sourced from PubChem (CID 90076773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).