N'-[3-(4-methylphenyl)phenyl]methanimidamide

C14H14N2 — CID 123858639

IUPACN'-[3-(4-methylphenyl)phenyl]methanimidamide
SMILESCc1ccc(-c2cccc(/N=C/N)c2)cc1
InChIInChI=1S/C14H14N2/c1-11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-10-15/h2-10H,1H3,(H2,15,16)
InChIKeyOXTPJWJWHIACGM-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.28
Rot. Bonds2

About N'-[3-(4-methylphenyl)phenyl]methanimidamide

N'-[3-(4-methylphenyl)phenyl]methanimidamide (PubChem CID 123858639) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-[3-(4-methylphenyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN'-[3-(4-methylphenyl)phenyl]methanimidamide
PubChem CID123858639
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC NameN'-[3-(4-methylphenyl)phenyl]methanimidamide
SMILESCc1ccc(-c2cccc(/N=C/N)c2)cc1
InChIInChI=1S/C14H14N2/c1-11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-10-15/h2-10H,1H3,(H2,15,16)
InChIKeyOXTPJWJWHIACGM-UHFFFAOYSA-N
XLogP3.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylphenyl)phenyl]methanimidamide?
The IUPAC name of N'-[3-(4-methylphenyl)phenyl]methanimidamide (CID 123858639) is N'-[3-(4-methylphenyl)phenyl]methanimidamide.
What is the SMILES notation for N'-[3-(4-methylphenyl)phenyl]methanimidamide?
The canonical SMILES for N'-[3-(4-methylphenyl)phenyl]methanimidamide is Cc1ccc(-c2cccc(/N=C/N)c2)cc1.
What is the InChIKey of N'-[3-(4-methylphenyl)phenyl]methanimidamide?
The InChIKey is OXTPJWJWHIACGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-10-15/h2-10H,1H3,(H2,15,16).
What are the key properties of N'-[3-(4-methylphenyl)phenyl]methanimidamide?
N'-[3-(4-methylphenyl)phenyl]methanimidamide has a molecular weight of 210.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylphenyl)phenyl]methanimidamide is sourced from PubChem (CID 123858639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).