(2S)-2-(4-bromophenyl)morpholine;hydrochloride

C10H13BrClNO — CID 66842433

IUPAC(2S)-2-(4-bromophenyl)morpholine;hydrochloride
SMILESBrc1ccc([C@H]2CNCCO2)cc1.Cl
InChIInChI=1S/C10H12BrNO.ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10;/h1-4,10,12H,5-7H2;1H/t10-;/m1./s1
InChIKeyWBFDCHKYIJEWJO-HNCPQSOCSA-N
MW278.58 g/mol
LogP2.53
Rot. Bonds1

About (2S)-2-(4-bromophenyl)morpholine;hydrochloride

(2S)-2-(4-bromophenyl)morpholine;hydrochloride (PubChem CID 66842433) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)morpholine;hydrochloride
PubChem CID66842433
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name(2S)-2-(4-bromophenyl)morpholine;hydrochloride
SMILESBrc1ccc([C@H]2CNCCO2)cc1.Cl
InChIInChI=1S/C10H12BrNO.ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10;/h1-4,10,12H,5-7H2;1H/t10-;/m1./s1
InChIKeyWBFDCHKYIJEWJO-HNCPQSOCSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)morpholine;hydrochloride?
The IUPAC name of (2S)-2-(4-bromophenyl)morpholine;hydrochloride (CID 66842433) is (2S)-2-(4-bromophenyl)morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-(4-bromophenyl)morpholine;hydrochloride?
The canonical SMILES for (2S)-2-(4-bromophenyl)morpholine;hydrochloride is Brc1ccc([C@H]2CNCCO2)cc1.Cl.
What is the InChIKey of (2S)-2-(4-bromophenyl)morpholine;hydrochloride?
The InChIKey is WBFDCHKYIJEWJO-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H12BrNO.ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10;/h1-4,10,12H,5-7H2;1H/t10-;/m1./s1.
What are the key properties of (2S)-2-(4-bromophenyl)morpholine;hydrochloride?
(2S)-2-(4-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 (2S)-2-(4-bromophenyl)morpholine;hydrochloride is sourced from PubChem (CID 66842433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).