2-(2,6-dimethylanilino)phenalen-1-one

C21H17NO — CID 101222281

IUPAC2-(2,6-dimethylanilino)phenalen-1-one
SMILESCc1cccc(C)c1NC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C21H17NO/c1-13-6-3-7-14(2)20(13)22-18-12-16-10-4-8-15-9-5-11-17(19(15)16)21(18)23/h3-12,22H,1-2H3
InChIKeyBKJIQCPCCODEFW-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.11
Rot. Bonds2

About 2-(2,6-dimethylanilino)phenalen-1-one

2-(2,6-dimethylanilino)phenalen-1-one (PubChem CID 101222281) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)phenalen-1-one.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)phenalen-1-one
PubChem CID101222281
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-(2,6-dimethylanilino)phenalen-1-one
SMILESCc1cccc(C)c1NC1=Cc2cccc3cccc(c23)C1=O
InChIInChI=1S/C21H17NO/c1-13-6-3-7-14(2)20(13)22-18-12-16-10-4-8-15-9-5-11-17(19(15)16)21(18)23/h3-12,22H,1-2H3
InChIKeyBKJIQCPCCODEFW-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylphenalen-1-one
CID 15695099
2-aminophenalen-1-one
CID 13013288
acenaphthylen-1-yl(trimethyl)silane
CID 12548324
1-methylsulfanylacenaphthylene
CID 10910498
benzo[a]phenalen-7-one;ethane
CID 90765972
2-(piperazine-1,4-diium-1-ylmethyl)phenalen-1-one
CID 140633643
methyl-[(1-oxophenalen-2-yl)methyl]-dipropylazanium chloride
CID 169427324
2-(2-chloro-4,6-dimethylanilino)naphthalene-1,4-dione
CID 155625915
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
acenaphthylen-1-yloxy(trimethyl)silane
CID 56954913
azane;phenalen-1-one
CID 175328338
2-hydroxyethyl acenaphthylene-1-carboxylate
CID 59547499

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)phenalen-1-one?
The IUPAC name of 2-(2,6-dimethylanilino)phenalen-1-one (CID 101222281) is 2-(2,6-dimethylanilino)phenalen-1-one.
What is the SMILES notation for 2-(2,6-dimethylanilino)phenalen-1-one?
The canonical SMILES for 2-(2,6-dimethylanilino)phenalen-1-one is Cc1cccc(C)c1NC1=Cc2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-(2,6-dimethylanilino)phenalen-1-one?
The InChIKey is BKJIQCPCCODEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-13-6-3-7-14(2)20(13)22-18-12-16-10-4-8-15-9-5-11-17(19(15)16)21(18)23/h3-12,22H,1-2H3.
What are the key properties of 2-(2,6-dimethylanilino)phenalen-1-one?
2-(2,6-dimethylanilino)phenalen-1-one has a molecular weight of 299.37 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)phenalen-1-one is sourced from PubChem (CID 101222281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).