1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine

C20H19N3 — CID 140785268

IUPAC1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine
SMILES[H]/N=C(\N)N(c1ccccc1)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C20H19N3/c1-15-7-5-6-10-19(15)16-11-13-18(14-12-16)23(20(21)22)17-8-3-2-4-9-17/h2-14H,1H3,(H3,21,22)
InChIKeyOSAHZVMTCUJVMN-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.69
Rot. Bonds3

About 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine

1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine (PubChem CID 140785268) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine
PubChem CID140785268
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine
SMILES[H]/N=C(\N)N(c1ccccc1)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C20H19N3/c1-15-7-5-6-10-19(15)16-11-13-18(14-12-16)23(20(21)22)17-8-3-2-4-9-17/h2-14H,1H3,(H3,21,22)
InChIKeyOSAHZVMTCUJVMN-UHFFFAOYSA-N
XLogP4.69
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.69
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

1-(4-chlorophenyl)-1-phenylguanidine
CID 138104266
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1,1-bis(4-methoxyphenyl)guanidine
CID 19761906
1-carbamimidoyl-3,3-diphenyl-1-(N-phenylanilino)guanidine
CID 67554480
N-[4-[5,6-bis(ethenyl)-3-methyl-4-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]phenyl]-N-phenylbenzenecarboximidamide
CID 67891632
1-carbamimidoyl-1-(4-methylphenyl)guanidine;hydrochloride
CID 3027696
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-tert-butyl-1-phenylguanidine
CID 23103889
2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide
CID 59050345
1-phenyl-1-(N-phenylanilino)guanidine
CID 68911942

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine?
The IUPAC name of 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine (CID 140785268) is 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine.
What is the SMILES notation for 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine?
The canonical SMILES for 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine is [H]/N=C(\N)N(c1ccccc1)c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine?
The InChIKey is OSAHZVMTCUJVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-15-7-5-6-10-19(15)16-11-13-18(14-12-16)23(20(21)22)17-8-3-2-4-9-17/h2-14H,1H3,(H3,21,22).
What are the key properties of 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine?
1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine has a molecular weight of 301.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)phenyl]-1-phenylguanidine is sourced from PubChem (CID 140785268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).