3-(3-bromophenyl)morpholine;hydrochloride

C10H13BrClNO — CID 122156777

IUPAC3-(3-bromophenyl)morpholine;hydrochloride
SMILESBrc1cccc(C2COCCN2)c1.Cl
InChIInChI=1S/C10H12BrNO.ClH/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10;/h1-3,6,10,12H,4-5,7H2;1H
InChIKeyMTBVFNOCXSGYMK-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.53
Rot. Bonds1

About 3-(3-bromophenyl)morpholine;hydrochloride

3-(3-bromophenyl)morpholine;hydrochloride (PubChem CID 122156777) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 3-(3-bromophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name3-(3-bromophenyl)morpholine;hydrochloride
PubChem CID122156777
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name3-(3-bromophenyl)morpholine;hydrochloride
SMILESBrc1cccc(C2COCCN2)c1.Cl
InChIInChI=1S/C10H12BrNO.ClH/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10;/h1-3,6,10,12H,4-5,7H2;1H
InChIKeyMTBVFNOCXSGYMK-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Bromobenzyl)morpholine
CID 783082
N-(3-bromobenzyl)-3-(4-morpholinyl)-1-propanamine dihydrochloride
CID 16189528
3-(4-Fluorophenyl)morpholine
CID 3831072
3-Phenylmorpholine
CID 3613837
3-Phenylmorpholine--hydrogen chloride (1/1)
CID 17749820
3-(3,4-Difluorophenyl)morpholine
CID 18623219
2-(3-Bromophenyl)morpholine
CID 43350820
2-(4-Bromophenyl)-2-(methylamino)ethan-1-ol
CID 54775997
2-(3-Bromophenyl)-2-(methylamino)ethan-1-ol
CID 61056326
2,2-Dimethyl-5-phenylmorpholine hydrochloride
CID 69283449
1-(3-Bromophenyl)-2-methoxyethan-1-amine
CID 79016387
3-(4-Bromophenyl)morpholine hydrochloride
CID 122156776

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)morpholine;hydrochloride?
The IUPAC name of 3-(3-bromophenyl)morpholine;hydrochloride (CID 122156777) is 3-(3-bromophenyl)morpholine;hydrochloride.
What is the SMILES notation for 3-(3-bromophenyl)morpholine;hydrochloride?
The canonical SMILES for 3-(3-bromophenyl)morpholine;hydrochloride is Brc1cccc(C2COCCN2)c1.Cl.
What is the InChIKey of 3-(3-bromophenyl)morpholine;hydrochloride?
The InChIKey is MTBVFNOCXSGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c11-9-3-1-2-8(6-9)10-7-13-5-4-12-10;/h1-3,6,10,12H,4-5,7H2;1H.
What are the key properties of 3-(3-bromophenyl)morpholine;hydrochloride?
3-(3-bromophenyl)morpholine;hydrochloride has a molecular weight of 278.58 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)morpholine;hydrochloride is sourced from PubChem (CID 122156777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).