benzenecarboximidamide;(4-phenylphenyl)methanamine

C20H21N3 — CID 145327292

IUPACbenzenecarboximidamide;(4-phenylphenyl)methanamine
SMILESNCc1ccc(-c2ccccc2)cc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C13H13N.C7H8N2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-7(9)6-4-2-1-3-5-6/h1-9H,10,14H2;1-5H,(H3,8,9)
InChIKeyPKANEBCRUZSJSV-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.78
Rot. Bonds3

About benzenecarboximidamide;(4-phenylphenyl)methanamine

benzenecarboximidamide;(4-phenylphenyl)methanamine (PubChem CID 145327292) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is benzenecarboximidamide;(4-phenylphenyl)methanamine.

Molecular Properties

Compound Namebenzenecarboximidamide;(4-phenylphenyl)methanamine
PubChem CID145327292
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Namebenzenecarboximidamide;(4-phenylphenyl)methanamine
SMILESNCc1ccc(-c2ccccc2)cc1.[H]/N=C(\N)c1ccccc1
InChIInChI=1S/C13H13N.C7H8N2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-7(9)6-4-2-1-3-5-6/h1-9H,10,14H2;1-5H,(H3,8,9)
InChIKeyPKANEBCRUZSJSV-UHFFFAOYSA-N
XLogP3.78
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170
benzenecarboximidamide;sulfane
CID 172701796
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
benzenecarboximidamide;hydron;chloride
CID 66824376
benzenecarboximidamide;toluene
CID 158219006
2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
CID 155294731
benzenecarboximidamide;1H-pyrrole
CID 158593667
4-(3-methylphenyl)-6-phenyldibenzofuran;4-phenylbenzenecarboximidamide;phenylmethanamine
CID 142481954
3-(4-chlorophenyl)benzenecarboximidamide
CID 6345111
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidamide;(4-phenylphenyl)methanamine?
The IUPAC name of benzenecarboximidamide;(4-phenylphenyl)methanamine (CID 145327292) is benzenecarboximidamide;(4-phenylphenyl)methanamine.
What is the SMILES notation for benzenecarboximidamide;(4-phenylphenyl)methanamine?
The canonical SMILES for benzenecarboximidamide;(4-phenylphenyl)methanamine is NCc1ccc(-c2ccccc2)cc1.[H]/N=C(\N)c1ccccc1.
What is the InChIKey of benzenecarboximidamide;(4-phenylphenyl)methanamine?
The InChIKey is PKANEBCRUZSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C7H8N2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-7(9)6-4-2-1-3-5-6/h1-9H,10,14H2;1-5H,(H3,8,9).
What are the key properties of benzenecarboximidamide;(4-phenylphenyl)methanamine?
benzenecarboximidamide;(4-phenylphenyl)methanamine has a molecular weight of 303.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidamide;(4-phenylphenyl)methanamine is sourced from PubChem (CID 145327292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).