[2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone

C20H19NO2 — CID 131888769

IUPAC[2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N(C)C)ccc3ccccc23)cc1
InChIInChI=1S/C20H19NO2/c1-21(2)18-13-10-14-6-4-5-7-17(14)19(18)20(22)15-8-11-16(23-3)12-9-15/h4-13H,1-3H3
InChIKeyUPUGVCZAVWMBCJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.15
Rot. Bonds4

About [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone

[2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 131888769) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone
PubChem CID131888769
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(N(C)C)ccc3ccccc23)cc1
InChIInChI=1S/C20H19NO2/c1-21(2)18-13-10-14-6-4-5-7-17(14)19(18)20(22)15-8-11-16(23-3)12-9-15/h4-13H,1-3H3
InChIKeyUPUGVCZAVWMBCJ-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone (CID 131888769) is [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(N(C)C)ccc3ccccc23)cc1.
What is the InChIKey of [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is UPUGVCZAVWMBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21(2)18-13-10-14-6-4-5-7-17(14)19(18)20(22)15-8-11-16(23-3)12-9-15/h4-13H,1-3H3.
What are the key properties of [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone?
[2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 305.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 131888769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).