[2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine

C31H30N2O — CID 20536957

IUPAC[2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine
SMILESCCN(CC)c1ccccc1C(=O)c1ccccc1.c1ccc(-c2cc3ccccn3c2)cc1
InChIInChI=1S/C17H19NO.C14H11N/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14;1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h5-13H,3-4H2,1-2H3;1-11H
InChIKeyCHDOALZPBVAYFU-UHFFFAOYSA-N
MW446.59 g/mol
LogP7.37
Rot. Bonds6

About [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine

[2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine (PubChem CID 20536957) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine.

Molecular Properties

Compound Name[2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine
PubChem CID20536957
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name[2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine
SMILESCCN(CC)c1ccccc1C(=O)c1ccccc1.c1ccc(-c2cc3ccccn3c2)cc1
InChIInChI=1S/C17H19NO.C14H11N/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14;1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h5-13H,3-4H2,1-2H3;1-11H
InChIKeyCHDOALZPBVAYFU-UHFFFAOYSA-N
XLogP7.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670
2-[2-(diethylamino)benzoyl]benzoic acid
CID 151183453
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
2-(3-benzylphenyl)indolizine
CID 174259995
2-methylindolizine;2,3,4,5-tetrachloro-6-[4-(diethylamino)benzoyl]benzoic acid
CID 163936899
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
ethyl 2-phenylindolizine-8-carboxylate
CID 15562881
[2-(diethylamino)phenyl]-phenylmethanone;1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-2-ol
CID 160638651
[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
CID 175307989
2-(1,2-dimethylindole-3-carbonyl)-6-nitrobenzoic acid;2-phenylindolizine
CID 163740121
2-amino-1-[2-(diethylamino)phenyl]ethanone
CID 83820084
propan-2-yl 2-phenylindolizine-7-carboxylate
CID 175803341

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine?
The IUPAC name of [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine (CID 20536957) is [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine.
What is the SMILES notation for [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine?
The canonical SMILES for [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine is CCN(CC)c1ccccc1C(=O)c1ccccc1.c1ccc(-c2cc3ccccn3c2)cc1.
What is the InChIKey of [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine?
The InChIKey is CHDOALZPBVAYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C14H11N/c1-3-18(4-2)16-13-9-8-12-15(16)17(19)14-10-6-5-7-11-14;1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13/h5-13H,3-4H2,1-2H3;1-11H.
What are the key properties of [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine?
[2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine has a molecular weight of 446.59 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)phenyl]-phenylmethanone;2-phenylindolizine is sourced from PubChem (CID 20536957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).