(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone

C13H16BrNO3 — CID 172647327

IUPAC(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCO[C@@H](C)C2)c(Br)c1
InChIInChI=1S/C13H16BrNO3/c1-9-8-15(5-6-18-9)13(16)11-4-3-10(17-2)7-12(11)14/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyYBUFRRMQEQNCTA-VIFPVBQESA-N
MW314.18 g/mol
LogP2.32
Rot. Bonds2

About (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone

(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 172647327) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID172647327
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCO[C@@H](C)C2)c(Br)c1
InChIInChI=1S/C13H16BrNO3/c1-9-8-15(5-6-18-9)13(16)11-4-3-10(17-2)7-12(11)14/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyYBUFRRMQEQNCTA-VIFPVBQESA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55154457
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81484079
(3-bromo-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648043
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
[4-bromo-2-(trifluoromethoxy)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647360
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate
CID 47069672
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone (CID 172647327) is (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone is COc1ccc(C(=O)N2CCO[C@@H](C)C2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is YBUFRRMQEQNCTA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-9-8-15(5-6-18-9)13(16)11-4-3-10(17-2)7-12(11)14/h3-4,7,9H,5-6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone?
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 314.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 172647327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).