[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone

C21H22N2O — CID 815398

IUPAC[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H22N2O/c1-22(2)16-11-9-15(10-12-16)21(24)19-13-14-20(23(3)4)18-8-6-5-7-17(18)19/h5-14H,1-4H3
InChIKeyAGCZLPSWSLXJRK-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.20
Rot. Bonds4

About [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone

[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone (PubChem CID 815398) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone
PubChem CID815398
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H22N2O/c1-22(2)16-11-9-15(10-12-16)21(24)19-13-14-20(23(3)4)18-8-6-5-7-17(18)19/h5-14H,1-4H3
InChIKeyAGCZLPSWSLXJRK-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone (CID 815398) is [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)c2ccc(N(C)C)c3ccccc23)cc1.
What is the InChIKey of [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone?
The InChIKey is AGCZLPSWSLXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-22(2)16-11-9-15(10-12-16)21(24)19-13-14-20(23(3)4)18-8-6-5-7-17(18)19/h5-14H,1-4H3.
What are the key properties of [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone?
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone has a molecular weight of 318.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 815398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).