N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide

C16H18N2 — CID 63177992

IUPACN'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
SMILESCc1ccccc1C(C)/N=C(\N)c1ccccc1
InChIInChI=1S/C16H18N2/c1-12-8-6-7-11-15(12)13(2)18-16(17)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,17,18)
InChIKeySKBZHGMLGBZELC-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.46
Rot. Bonds3

About N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide

N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide (PubChem CID 63177992) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
PubChem CID63177992
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
SMILESCc1ccccc1C(C)/N=C(\N)c1ccccc1
InChIInChI=1S/C16H18N2/c1-12-8-6-7-11-15(12)13(2)18-16(17)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,17,18)
InChIKeySKBZHGMLGBZELC-UHFFFAOYSA-N
XLogP3.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.46
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-(2-fluorophenyl)ethyl]benzenecarboximidamide
CID 63176743
2-methyl-N'-[1-(2-methylphenyl)ethyl]propanimidamide
CID 63177928
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenecarboximidamide
CID 55159588
N'-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 63175435
methyl-[1-(2-methylphenyl)ethyl]diazene
CID 54389923
(2S)-N'-hydroxy-2-(2-methylphenyl)propanimidamide
CID 100829661
N'-[1-(1H-pyrazol-4-yl)ethyl]benzenecarboximidamide
CID 106218322
2-(benzhydrylideneamino)-2-(2-methylphenyl)acetonitrile
CID 14591087
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide?
The IUPAC name of N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide (CID 63177992) is N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide?
The canonical SMILES for N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide is Cc1ccccc1C(C)/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide?
The InChIKey is SKBZHGMLGBZELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-8-6-7-11-15(12)13(2)18-16(17)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,17,18).
What are the key properties of N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide?
N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide has a molecular weight of 238.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 63177992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).