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

C21H23N3O — CID 660794

IUPAC5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
SMILESCCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1
InChIInChI=1S/C21H23N3O/c1-3-24(4-2)15-11-12-16(19(25)13-15)21-22-17-9-5-7-14-8-6-10-18(23-21)20(14)17/h5-13,21-23,25H,3-4H2,1-2H3
InChIKeyRPXUXCFXWGEKGU-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.93
Rot. Bonds4

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

5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol (PubChem CID 660794) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
PubChem CID660794
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
SMILESCCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1
InChIInChI=1S/C21H23N3O/c1-3-24(4-2)15-11-12-16(19(25)13-15)21-22-17-9-5-7-14-8-6-10-18(23-21)20(14)17/h5-13,21-23,25H,3-4H2,1-2H3
InChIKeyRPXUXCFXWGEKGU-UHFFFAOYSA-N
XLogP4.93
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.93
H-Bond Donors ≤ 53
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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Related Compounds

2-(2,3-dihydro-1H-perimidin-2-yl)-5-(ethylamino)phenol
CID 71264985
2,6-bis(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 102039871
(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one
CID 171184224
(2S)-3-[(2S)-butan-2-yl]-2-[4-(diethylamino)-2-hydroxyphenyl]-1,2-dihydroquinazolin-4-one
CID 9008021
N,N-diethylpyren-2-amine
CID 122393290
2,4-bis[4-(diethylamino)-2-hydroxyphenyl]-2-methylcyclobutane-1,3-diol
CID 163863619
2-[3,6-bis(dimethylamino)-9H-xanthen-9-yl]-5-(diethylamino)phenol
CID 59211315
2-(1,3-dibenzylimidazolidin-2-yl)-5-(diethylamino)phenol
CID 1247119
2,6-ditert-butyl-4-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 2864280
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374
5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 135814136
2-phenyl-2,3-dihydro-1H-perimidine
CID 760601

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The IUPAC name of 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol (CID 660794) is 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol.
What is the SMILES notation for 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The canonical SMILES for 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol is CCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The InChIKey is RPXUXCFXWGEKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-24(4-2)15-11-12-16(19(25)13-15)21-22-17-9-5-7-14-8-6-10-18(23-21)20(14)17/h5-13,21-23,25H,3-4H2,1-2H3.
What are the key properties of 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol?
5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol has a molecular weight of 333.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol is sourced from PubChem (CID 660794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).