(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine

C13H18BrNO — CID 86322012

IUPAC(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine
SMILESCCCc1cc(Br)ccc1O[C@@H]1CCNC1
InChIInChI=1S/C13H18BrNO/c1-2-3-10-8-11(14)4-5-13(10)16-12-6-7-15-9-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3/t12-/m1/s1
InChIKeyDPZILOYOLDBCKU-GFCCVEGCSA-N
MW284.20 g/mol
LogP3.14
Rot. Bonds4

About (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine

(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine (PubChem CID 86322012) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine
PubChem CID86322012
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine
SMILESCCCc1cc(Br)ccc1O[C@@H]1CCNC1
InChIInChI=1S/C13H18BrNO/c1-2-3-10-8-11(14)4-5-13(10)16-12-6-7-15-9-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3/t12-/m1/s1
InChIKeyDPZILOYOLDBCKU-GFCCVEGCSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-bromo-2-ethylphenoxy)pyrrolidine
CID 86321972
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
3-(4-bromo-2-ethylphenoxy)azetidine
CID 53409294
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590
methyl (2S,4S)-4-(4-bromo-2-propylphenoxy)pyrrolidine-2-carboxylate
CID 56831322
(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
3-(2,4-dibromophenoxy)piperidine;hydrochloride
CID 53409178
(3S)-3-(4-bromo-2-chlorophenoxy)piperidine
CID 86317840
3-(2-bromo-4-butan-2-ylphenoxy)pyrrolidine;hydrochloride
CID 56830692
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416
(3R)-3-(2-bromo-4-propan-2-ylphenoxy)pyrrolidine
CID 86322122
(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine?
The IUPAC name of (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine (CID 86322012) is (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine is CCCc1cc(Br)ccc1O[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine?
The InChIKey is DPZILOYOLDBCKU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-3-10-8-11(14)4-5-13(10)16-12-6-7-15-9-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine?
(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine has a molecular weight of 284.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine is sourced from PubChem (CID 86322012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).