(3S)-3-(3-bromo-4-chlorophenyl)morpholine

C10H11BrClNO — CID 130748628

IUPAC(3S)-3-(3-bromo-4-chlorophenyl)morpholine
SMILESClc1ccc([C@H]2COCCN2)cc1Br
InChIInChI=1S/C10H11BrClNO/c11-8-5-7(1-2-9(8)12)10-6-14-4-3-13-10/h1-2,5,10,13H,3-4,6H2/t10-/m1/s1
InChIKeySYOCGKZMQUKPIW-SNVBAGLBSA-N
MW276.56 g/mol
LogP2.76
Rot. Bonds1

About (3S)-3-(3-bromo-4-chlorophenyl)morpholine

(3S)-3-(3-bromo-4-chlorophenyl)morpholine (PubChem CID 130748628) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is (3S)-3-(3-bromo-4-chlorophenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(3-bromo-4-chlorophenyl)morpholine
PubChem CID130748628
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name(3S)-3-(3-bromo-4-chlorophenyl)morpholine
SMILESClc1ccc([C@H]2COCCN2)cc1Br
InChIInChI=1S/C10H11BrClNO/c11-8-5-7(1-2-9(8)12)10-6-14-4-3-13-10/h1-2,5,10,13H,3-4,6H2/t10-/m1/s1
InChIKeySYOCGKZMQUKPIW-SNVBAGLBSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
2-chloro-4-morpholin-3-ylphenol
CID 82613251
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
3-(6-bromonaphthalen-2-yl)morpholine
CID 175413265
(3S)-3-[3-chloro-4-(trifluoromethyl)phenyl]morpholine
CID 171193456
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
(3S)-3-(3-bromo-5-chlorophenyl)morpholine
CID 130626016
(3S)-3-(5,6-dibromo-3-pyridinyl)morpholine
CID 131118655
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
3-(3,5-dibromophenyl)morpholine
CID 126971173
3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
CID 131447436

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-bromo-4-chlorophenyl)morpholine?
The IUPAC name of (3S)-3-(3-bromo-4-chlorophenyl)morpholine (CID 130748628) is (3S)-3-(3-bromo-4-chlorophenyl)morpholine.
What is the SMILES notation for (3S)-3-(3-bromo-4-chlorophenyl)morpholine?
The canonical SMILES for (3S)-3-(3-bromo-4-chlorophenyl)morpholine is Clc1ccc([C@H]2COCCN2)cc1Br.
What is the InChIKey of (3S)-3-(3-bromo-4-chlorophenyl)morpholine?
The InChIKey is SYOCGKZMQUKPIW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-8-5-7(1-2-9(8)12)10-6-14-4-3-13-10/h1-2,5,10,13H,3-4,6H2/t10-/m1/s1.
What are the key properties of (3S)-3-(3-bromo-4-chlorophenyl)morpholine?
(3S)-3-(3-bromo-4-chlorophenyl)morpholine has a molecular weight of 276.56 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-bromo-4-chlorophenyl)morpholine is sourced from PubChem (CID 130748628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).