2-(2-phenylanilino)ethanimidamide

C14H15N3 — CID 145111119

IUPAC2-(2-phenylanilino)ethanimidamide
SMILES[H]/N=C(\N)CNc1ccccc1-c1ccccc1
InChIInChI=1S/C14H15N3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,17H,10H2,(H3,15,16)
InChIKeyCSYHWSJMDDYBOR-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.70
Rot. Bonds4

About 2-(2-phenylanilino)ethanimidamide

2-(2-phenylanilino)ethanimidamide (PubChem CID 145111119) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(2-phenylanilino)ethanimidamide.

Molecular Properties

Compound Name2-(2-phenylanilino)ethanimidamide
PubChem CID145111119
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-(2-phenylanilino)ethanimidamide
SMILES[H]/N=C(\N)CNc1ccccc1-c1ccccc1
InChIInChI=1S/C14H15N3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,17H,10H2,(H3,15,16)
InChIKeyCSYHWSJMDDYBOR-UHFFFAOYSA-N
XLogP2.70
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylanilino)ethanimidamide?
The IUPAC name of 2-(2-phenylanilino)ethanimidamide (CID 145111119) is 2-(2-phenylanilino)ethanimidamide.
What is the SMILES notation for 2-(2-phenylanilino)ethanimidamide?
The canonical SMILES for 2-(2-phenylanilino)ethanimidamide is [H]/N=C(\N)CNc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylanilino)ethanimidamide?
The InChIKey is CSYHWSJMDDYBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-14(16)10-17-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,17H,10H2,(H3,15,16).
What are the key properties of 2-(2-phenylanilino)ethanimidamide?
2-(2-phenylanilino)ethanimidamide has a molecular weight of 225.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylanilino)ethanimidamide is sourced from PubChem (CID 145111119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).