(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride

C11H15BrClNO2 — CID 171192624

IUPAC(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
SMILESCOc1cc(Br)ccc1[C@@H]1COCCN1.Cl
InChIInChI=1S/C11H14BrNO2.ClH/c1-14-11-6-8(12)2-3-9(11)10-7-15-5-4-13-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H/t10-;/m0./s1
InChIKeyZCBORTVKWRJCOV-PPHPATTJSA-N
MW308.60 g/mol
LogP2.54
Rot. Bonds2

About (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride

(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride (PubChem CID 171192624) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
PubChem CID171192624
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
SMILESCOc1cc(Br)ccc1[C@@H]1COCCN1.Cl
InChIInChI=1S/C11H14BrNO2.ClH/c1-14-11-6-8(12)2-3-9(11)10-7-15-5-4-13-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H/t10-;/m0./s1
InChIKeyZCBORTVKWRJCOV-PPHPATTJSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-morpholin-3-ylphenol
CID 130022201
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
5-bromo-2-[(3S)-morpholin-3-yl]benzoic acid
CID 131436603
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
CID 171192526
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride?
The IUPAC name of (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride (CID 171192624) is (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride?
The canonical SMILES for (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride is COc1cc(Br)ccc1[C@@H]1COCCN1.Cl.
What is the InChIKey of (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride?
The InChIKey is ZCBORTVKWRJCOV-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14BrNO2.ClH/c1-14-11-6-8(12)2-3-9(11)10-7-15-5-4-13-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride?
(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride has a molecular weight of 308.60 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride is sourced from PubChem (CID 171192624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).