2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol

C19H19N3O — CID 71264985

IUPAC2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol
SMILESCCNc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1
InChIInChI=1S/C19H19N3O/c1-2-20-13-9-10-14(17(23)11-13)19-21-15-7-3-5-12-6-4-8-16(22-19)18(12)15/h3-11,19-23H,2H2,1H3
InChIKeyPCCZLQRNEHOIOQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.51
Rot. Bonds3

About 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol

2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol (PubChem CID 71264985) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol
PubChem CID71264985
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol
SMILESCCNc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1
InChIInChI=1S/C19H19N3O/c1-2-20-13-9-10-14(17(23)11-13)19-21-15-7-3-5-12-6-4-8-16(22-19)18(12)15/h3-11,19-23H,2H2,1H3
InChIKeyPCCZLQRNEHOIOQ-UHFFFAOYSA-N
XLogP4.51
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol?
The IUPAC name of 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol (CID 71264985) is 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol.
What is the SMILES notation for 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol?
The canonical SMILES for 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol is CCNc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol?
The InChIKey is PCCZLQRNEHOIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-20-13-9-10-14(17(23)11-13)19-21-15-7-3-5-12-6-4-8-16(22-19)18(12)15/h3-11,19-23H,2H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol?
2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol has a molecular weight of 305.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol is sourced from PubChem (CID 71264985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).