2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine

C18H24N4 — CID 110925630

IUPAC2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine
SMILESCCN(CC/N=C(\N)Nc1ccccc1)c1ccccc1C
InChIInChI=1S/C18H24N4/c1-3-22(17-12-8-7-9-15(17)2)14-13-20-18(19)21-16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3,(H3,19,20,21)
InChIKeyVUEJMSWDBABXRJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.25
Rot. Bonds6

About 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine

2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine (PubChem CID 110925630) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine
PubChem CID110925630
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine
SMILESCCN(CC/N=C(\N)Nc1ccccc1)c1ccccc1C
InChIInChI=1S/C18H24N4/c1-3-22(17-12-8-7-9-15(17)2)14-13-20-18(19)21-16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3,(H3,19,20,21)
InChIKeyVUEJMSWDBABXRJ-UHFFFAOYSA-N
XLogP3.25
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine (CID 110925630) is 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine is CCN(CC/N=C(\N)Nc1ccccc1)c1ccccc1C.
What is the InChIKey of 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine?
The InChIKey is VUEJMSWDBABXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-22(17-12-8-7-9-15(17)2)14-13-20-18(19)21-16-10-5-4-6-11-16/h4-12H,3,13-14H2,1-2H3,(H3,19,20,21).
What are the key properties of 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine?
2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine has a molecular weight of 296.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine is sourced from PubChem (CID 110925630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).