2-(3-bromo-2-methoxy-5-methylphenyl)morpholine

C12H16BrNO2 — CID 115004626

IUPAC2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
SMILESCOc1c(Br)cc(C)cc1C1CNCCO1
InChIInChI=1S/C12H16BrNO2/c1-8-5-9(11-7-14-3-4-16-11)12(15-2)10(13)6-8/h5-6,11,14H,3-4,7H2,1-2H3
InChIKeyBKVDZCDTLFMVDB-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.43
Rot. Bonds2

About 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine

2-(3-bromo-2-methoxy-5-methylphenyl)morpholine (PubChem CID 115004626) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
PubChem CID115004626
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
SMILESCOc1c(Br)cc(C)cc1C1CNCCO1
InChIInChI=1S/C12H16BrNO2/c1-8-5-9(11-7-14-3-4-16-11)12(15-2)10(13)6-8/h5-6,11,14H,3-4,7H2,1-2H3
InChIKeyBKVDZCDTLFMVDB-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine 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

4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)morpholine
CID 117432130
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
2-(3-bromo-2,4-dimethoxyphenyl)morpholine
CID 117486500
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2-methoxy-3,6-dimethyl-4-morpholin-2-ylphenol
CID 117346877
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646
2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
CID 117406688

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine?
The IUPAC name of 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine (CID 115004626) is 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine.
What is the SMILES notation for 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine?
The canonical SMILES for 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine is COc1c(Br)cc(C)cc1C1CNCCO1.
What is the InChIKey of 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine?
The InChIKey is BKVDZCDTLFMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-5-9(11-7-14-3-4-16-11)12(15-2)10(13)6-8/h5-6,11,14H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine?
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine has a molecular weight of 286.17 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methoxy-5-methylphenyl)morpholine is sourced from PubChem (CID 115004626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).