(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone

C16H16BrNO2 — CID 115283093

IUPAC(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc3cc(Br)ccc3c2)CCO1
InChIInChI=1S/C16H16BrNO2/c1-11-10-18(6-7-20-11)16(19)14-3-2-13-9-15(17)5-4-12(13)8-14/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyQYKZWHCPTXWFNZ-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.46
Rot. Bonds1

About (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone

(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 115283093) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID115283093
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc3cc(Br)ccc3c2)CCO1
InChIInChI=1S/C16H16BrNO2/c1-11-10-18(6-7-20-11)16(19)14-3-2-13-9-15(17)5-4-12(13)8-14/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyQYKZWHCPTXWFNZ-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 51293210
(4-bromo-2,6-difluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 71683349
(3-bromo-4-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 79459484
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(6-bromo-1-methylindol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 172654878
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone (CID 115283093) is (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc3cc(Br)ccc3c2)CCO1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is QYKZWHCPTXWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-10-18(6-7-20-11)16(19)14-3-2-13-9-15(17)5-4-12(13)8-14/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone?
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 334.21 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 115283093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).