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

C14H18BrNO2 — CID 65307467

IUPAC(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H18BrNO2/c1-10-4-5-11(15)8-12(10)13(17)16-6-7-18-14(2,3)9-16/h4-5,8H,6-7,9H2,1-3H3
InChIKeySRBDBBALZOFVIY-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.01
Rot. Bonds1

About (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone

(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 65307467) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID65307467
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C14H18BrNO2/c1-10-4-5-11(15)8-12(10)13(17)16-6-7-18-14(2,3)9-16/h4-5,8H,6-7,9H2,1-3H3
InChIKeySRBDBBALZOFVIY-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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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 65307467) is (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is Cc1ccc(Br)cc1C(=O)N1CCOC(C)(C)C1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is SRBDBBALZOFVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-4-5-11(15)8-12(10)13(17)16-6-7-18-14(2,3)9-16/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone?
(5-bromo-2-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 (5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 65307467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).