2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine

C14H18BrNO2 — CID 117497013

IUPAC2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine
SMILESBrc1cc(C2CNCCO2)ccc1C1CCOC1
InChIInChI=1S/C14H18BrNO2/c15-13-7-10(14-8-16-4-6-18-14)1-2-12(13)11-3-5-17-9-11/h1-2,7,11,14,16H,3-6,8-9H2
InChIKeyFEIWKCJJKXTFDM-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.61
Rot. Bonds2

About 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine

2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine (PubChem CID 117497013) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine.

Molecular Properties

Compound Name2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine
PubChem CID117497013
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine
SMILESBrc1cc(C2CNCCO2)ccc1C1CCOC1
InChIInChI=1S/C14H18BrNO2/c15-13-7-10(14-8-16-4-6-18-14)1-2-12(13)11-3-5-17-9-11/h1-2,7,11,14,16H,3-6,8-9H2
InChIKeyFEIWKCJJKXTFDM-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine
CID 117495184
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
3-bromo-4-morpholin-2-ylphenol
CID 82623544
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
3-[3-chloro-4-(oxolan-3-yl)phenyl]piperidine
CID 117418869
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
CID 117436588

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine?
The IUPAC name of 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine (CID 117497013) is 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine.
What is the SMILES notation for 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine?
The canonical SMILES for 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine is Brc1cc(C2CNCCO2)ccc1C1CCOC1.
What is the InChIKey of 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine?
The InChIKey is FEIWKCJJKXTFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-13-7-10(14-8-16-4-6-18-14)1-2-12(13)11-3-5-17-9-11/h1-2,7,11,14,16H,3-6,8-9H2.
What are the key properties of 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine?
2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine has a molecular weight of 312.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine is sourced from PubChem (CID 117497013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).