2-[(4-bromo-2-chlorophenoxy)methyl]morpholine

C11H13BrClNO2 — CID 64535074

IUPAC2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
SMILESClc1cc(Br)ccc1OCC1CNCCO1
InChIInChI=1S/C11H13BrClNO2/c12-8-1-2-11(10(13)5-8)16-7-9-6-14-3-4-15-9/h1-2,5,9,14H,3-4,6-7H2
InChIKeyXTCNDLPNAOWWQE-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.47
Rot. Bonds3

About 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine

2-[(4-bromo-2-chlorophenoxy)methyl]morpholine (PubChem CID 64535074) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
PubChem CID64535074
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
SMILESClc1cc(Br)ccc1OCC1CNCCO1
InChIInChI=1S/C11H13BrClNO2/c12-8-1-2-11(10(13)5-8)16-7-9-6-14-3-4-15-9/h1-2,5,9,14H,3-4,6-7H2
InChIKeyXTCNDLPNAOWWQE-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
CID 42048862
2-[(3,6-dichloropyridazin-4-yl)oxymethyl]morpholine
CID 114468893
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
CID 11507301
2-bromo-3-fluoro-4-(morpholin-2-ylmethoxy)benzonitrile
CID 107539843
1-[5-bromo-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11956053
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
(2R)-2-[[4-[(E)-but-2-enoxy]-3-chlorophenyl]methyl]morpholine
CID 11708951
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine?
The IUPAC name of 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine (CID 64535074) is 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine?
The canonical SMILES for 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine is Clc1cc(Br)ccc1OCC1CNCCO1.
What is the InChIKey of 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine?
The InChIKey is XTCNDLPNAOWWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c12-8-1-2-11(10(13)5-8)16-7-9-6-14-3-4-15-9/h1-2,5,9,14H,3-4,6-7H2.
What are the key properties of 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine?
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine has a molecular weight of 306.59 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenoxy)methyl]morpholine is sourced from PubChem (CID 64535074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).