3-bromo-6-methyl-2-morpholin-3-ylphenol

C11H14BrNO2 — CID 84809565

IUPAC3-bromo-6-methyl-2-morpholin-3-ylphenol
SMILESCc1ccc(Br)c(C2COCCN2)c1O
InChIInChI=1S/C11H14BrNO2/c1-7-2-3-8(12)10(11(7)14)9-6-15-5-4-13-9/h2-3,9,13-14H,4-6H2,1H3
InChIKeyFBPMADIZUNJKAD-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.12
Rot. Bonds1

About 3-bromo-6-methyl-2-morpholin-3-ylphenol

3-bromo-6-methyl-2-morpholin-3-ylphenol (PubChem CID 84809565) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-bromo-6-methyl-2-morpholin-3-ylphenol.

Molecular Properties

Compound Name3-bromo-6-methyl-2-morpholin-3-ylphenol
PubChem CID84809565
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-bromo-6-methyl-2-morpholin-3-ylphenol
SMILESCc1ccc(Br)c(C2COCCN2)c1O
InChIInChI=1S/C11H14BrNO2/c1-7-2-3-8(12)10(11(7)14)9-6-15-5-4-13-9/h2-3,9,13-14H,4-6H2,1H3
InChIKeyFBPMADIZUNJKAD-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-bromo-6-methyl-2-morpholin-3-ylphenol 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

3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
CID 131447436
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
3-(2,6-dimethylphenyl)morpholine
CID 55298000
4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol
CID 131417656
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol
CID 171259722

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-2-morpholin-3-ylphenol?
The IUPAC name of 3-bromo-6-methyl-2-morpholin-3-ylphenol (CID 84809565) is 3-bromo-6-methyl-2-morpholin-3-ylphenol.
What is the SMILES notation for 3-bromo-6-methyl-2-morpholin-3-ylphenol?
The canonical SMILES for 3-bromo-6-methyl-2-morpholin-3-ylphenol is Cc1ccc(Br)c(C2COCCN2)c1O.
What is the InChIKey of 3-bromo-6-methyl-2-morpholin-3-ylphenol?
The InChIKey is FBPMADIZUNJKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7-2-3-8(12)10(11(7)14)9-6-15-5-4-13-9/h2-3,9,13-14H,4-6H2,1H3.
What are the key properties of 3-bromo-6-methyl-2-morpholin-3-ylphenol?
3-bromo-6-methyl-2-morpholin-3-ylphenol has a molecular weight of 272.14 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-2-morpholin-3-ylphenol is sourced from PubChem (CID 84809565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).