(2S)-2-(3-bromophenyl)morpholine

C10H12BrNO — CID 28806253

IUPAC(2S)-2-(3-bromophenyl)morpholine
SMILESBrc1cccc([C@H]2CNCCO2)c1
InChIInChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12H,4-5,7H2/t10-/m1/s1
InChIKeyZAFIQPSQXJOTKS-SNVBAGLBSA-N
MW242.12 g/mol
LogP2.11
Rot. Bonds1

About (2S)-2-(3-bromophenyl)morpholine

(2S)-2-(3-bromophenyl)morpholine (PubChem CID 28806253) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)morpholine
PubChem CID28806253
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name(2S)-2-(3-bromophenyl)morpholine
SMILESBrc1cccc([C@H]2CNCCO2)c1
InChIInChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12H,4-5,7H2/t10-/m1/s1
InChIKeyZAFIQPSQXJOTKS-SNVBAGLBSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
azane;2-phenylmorpholine
CID 174664757
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119757100
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
CID 117436588
2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
2-(3-bromophenyl)-5-methyl-1,4-oxazepane
CID 83188102
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)morpholine?
The IUPAC name of (2S)-2-(3-bromophenyl)morpholine (CID 28806253) is (2S)-2-(3-bromophenyl)morpholine.
What is the SMILES notation for (2S)-2-(3-bromophenyl)morpholine?
The canonical SMILES for (2S)-2-(3-bromophenyl)morpholine is Brc1cccc([C@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-(3-bromophenyl)morpholine?
The InChIKey is ZAFIQPSQXJOTKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12H,4-5,7H2/t10-/m1/s1.
What are the key properties of (2S)-2-(3-bromophenyl)morpholine?
(2S)-2-(3-bromophenyl)morpholine has a molecular weight of 242.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)morpholine is sourced from PubChem (CID 28806253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).