4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide

C21H20N2 — CID 142648170

IUPAC4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H20N2/c22-21(23)19-13-11-16(12-14-19)9-10-17-5-4-8-20(15-17)18-6-2-1-3-7-18/h1-8,11-15H,9-10H2,(H3,22,23)
InChIKeyIUNPTKPZWHEPRZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.42
Rot. Bonds5

About 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide

4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide (PubChem CID 142648170) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
PubChem CID142648170
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H20N2/c22-21(23)19-13-11-16(12-14-19)9-10-17-5-4-8-20(15-17)18-6-2-1-3-7-18/h1-8,11-15H,9-10H2,(H3,22,23)
InChIKeyIUNPTKPZWHEPRZ-UHFFFAOYSA-N
XLogP4.42
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
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

benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
ethane;4-phenylbenzenecarboximidamide
CID 91221015
N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
CID 59110661
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide
CID 166781489
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoic acid;dihydrochloride
CID 70066248
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
benzenecarboximidamide;sulfane
CID 172701796

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide?
The IUPAC name of 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide (CID 142648170) is 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide?
The canonical SMILES for 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CCc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide?
The InChIKey is IUNPTKPZWHEPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c22-21(23)19-13-11-16(12-14-19)9-10-17-5-4-8-20(15-17)18-6-2-1-3-7-18/h1-8,11-15H,9-10H2,(H3,22,23).
What are the key properties of 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide?
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide has a molecular weight of 300.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 142648170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).