(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine

C11H14BrNO — CID 107284590

IUPAC(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
SMILESCc1ccc(Br)cc1O[C@H]1CCNC1
InChIInChI=1S/C11H14BrNO/c1-8-2-3-9(12)6-11(8)14-10-4-5-13-7-10/h2-3,6,10,13H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyNVXYHXZHIHEWKP-JTQLQIEISA-N
MW256.14 g/mol
LogP2.50
Rot. Bonds2

About (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine

(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine (PubChem CID 107284590) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
PubChem CID107284590
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
SMILESCc1ccc(Br)cc1O[C@H]1CCNC1
InChIInChI=1S/C11H14BrNO/c1-8-2-3-9(12)6-11(8)14-10-4-5-13-7-10/h2-3,6,10,13H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyNVXYHXZHIHEWKP-JTQLQIEISA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-methylphenoxy)azepane
CID 107286395
3-(5-methoxy-2-methylphenoxy)pyrrolidine
CID 84675320
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972
4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene
CID 107283955
(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine
CID 86322012
4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene
CID 107287256
3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine?
The IUPAC name of (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine (CID 107284590) is (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine is Cc1ccc(Br)cc1O[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine?
The InChIKey is NVXYHXZHIHEWKP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-2-3-9(12)6-11(8)14-10-4-5-13-7-10/h2-3,6,10,13H,4-5,7H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine?
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine has a molecular weight of 256.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine is sourced from PubChem (CID 107284590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).