(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone

C14H18BrNO2 — CID 67326501

IUPAC(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1cccc(C(=O)N2CCOC(C)(C)C2)c1Br
InChIInChI=1S/C14H18BrNO2/c1-10-5-4-6-11(12(10)15)13(17)16-7-8-18-14(2,3)9-16/h4-6H,7-9H2,1-3H3
InChIKeyNBAMVBQETXDSKZ-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.01
Rot. Bonds1

About (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone

(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 67326501) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID67326501
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1cccc(C(=O)N2CCOC(C)(C)C2)c1Br
InChIInChI=1S/C14H18BrNO2/c1-10-5-4-6-11(12(10)15)13(17)16-7-8-18-14(2,3)9-16/h4-6H,7-9H2,1-3H3
InChIKeyNBAMVBQETXDSKZ-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656
aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589
(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130965206
(2-bromo-3-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812606
(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43592329
(2-bromo-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103853932
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
1-(2-bromo-3-methylbenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 107981448
azepan-1-yl-(2-bromo-3-methylphenyl)methanone
CID 103852629
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 67326501) is (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is Cc1cccc(C(=O)N2CCOC(C)(C)C2)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is NBAMVBQETXDSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-5-4-6-11(12(10)15)13(17)16-7-8-18-14(2,3)9-16/h4-6H,7-9H2,1-3H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 312.21 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 67326501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).