1-ethyl-1-(2-methylphenyl)-2-phenylguanidine

C16H19N3 — CID 62362486

IUPAC1-ethyl-1-(2-methylphenyl)-2-phenylguanidine
SMILESCCN(/C(N)=N/c1ccccc1)c1ccccc1C
InChIInChI=1S/C16H19N3/c1-3-19(15-12-8-7-9-13(15)2)16(17)18-14-10-5-4-6-11-14/h4-12H,3H2,1-2H3,(H2,17,18)
InChIKeyJPIAZELTDYYTKX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.47
Rot. Bonds3

About 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine

1-ethyl-1-(2-methylphenyl)-2-phenylguanidine (PubChem CID 62362486) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine.

Molecular Properties

Compound Name1-ethyl-1-(2-methylphenyl)-2-phenylguanidine
PubChem CID62362486
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-ethyl-1-(2-methylphenyl)-2-phenylguanidine
SMILESCCN(/C(N)=N/c1ccccc1)c1ccccc1C
InChIInChI=1S/C16H19N3/c1-3-19(15-12-8-7-9-13(15)2)16(17)18-14-10-5-4-6-11-14/h4-12H,3H2,1-2H3,(H2,17,18)
InChIKeyJPIAZELTDYYTKX-UHFFFAOYSA-N
XLogP3.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.47
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

2-cyclohexyl-1-ethyl-1-(2-methylphenyl)guanidine
CID 62362485
1-ethyl-2-phenyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361642
ethanol;2-phenylguanidine
CID 172840613
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
1-carbamimidoyl-1-ethyl-2-phenylguanidine
CID 175345301
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 76925161
2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine
CID 110925630
(2S)-2-amino-N-ethyl-N-(2-methylphenyl)-3-phenylpropanamide
CID 61148945
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine?
The IUPAC name of 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine (CID 62362486) is 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine.
What is the SMILES notation for 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine?
The canonical SMILES for 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine is CCN(/C(N)=N/c1ccccc1)c1ccccc1C.
What is the InChIKey of 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine?
The InChIKey is JPIAZELTDYYTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-19(15-12-8-7-9-13(15)2)16(17)18-14-10-5-4-6-11-14/h4-12H,3H2,1-2H3,(H2,17,18).
What are the key properties of 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine?
1-ethyl-1-(2-methylphenyl)-2-phenylguanidine has a molecular weight of 253.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methylphenyl)-2-phenylguanidine is sourced from PubChem (CID 62362486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).