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

C16H18N2 — CID 10586033

IUPACN'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
SMILESCc1ccc(C/N=C(\N)Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2/c1-13-7-9-15(10-8-13)12-18-16(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18)
InChIKeyPUYZJQCNMYRVPQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.09
Rot. Bonds4

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

N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide (PubChem CID 10586033) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
PubChem CID10586033
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
SMILESCc1ccc(C/N=C(\N)Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2/c1-13-7-9-15(10-8-13)12-18-16(17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18)
InChIKeyPUYZJQCNMYRVPQ-UHFFFAOYSA-N
XLogP3.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.09
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'-benzylpropanimidamide
CID 45122449
N'-[(4-methylphenyl)methoxy]-2-phenylethanimidamide
CID 60548435
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
CID 11971695
N'-hydroxy-2-phenylethanimidamide
CID 6074309
N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride
CID 45260142
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
4-methylbenzenesulfonic acid;N'-(4-methylphenyl)-2-phenylethanimidamide
CID 158193362
2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide
CID 100967764
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
3-benzylimino-1-(4-methylphenyl)butan-1-one
CID 7307989
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide?
The IUPAC name of N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide (CID 10586033) is N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide is Cc1ccc(C/N=C(\N)Cc2ccccc2)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide?
The InChIKey is PUYZJQCNMYRVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-13-7-9-15(10-8-13)12-18-16(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)methyl]-2-phenylethanimidamide?
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide has a molecular weight of 238.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide is sourced from PubChem (CID 10586033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).