(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine

C13H19NO — CID 26192167

IUPAC(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
SMILESCC(C)c1ccc(O[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H19NO/c1-10(2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,10,13-14H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyOIJKMXCBZFMSIS-CYBMUJFWSA-N
MW205.30 g/mol
LogP2.55
Rot. Bonds3

About (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine

(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine (PubChem CID 26192167) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
PubChem CID26192167
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
SMILESCC(C)c1ccc(O[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H19NO/c1-10(2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,10,13-14H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyOIJKMXCBZFMSIS-CYBMUJFWSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
3-[4-(difluoromethyl)phenoxy]pyrrolidine
CID 115028194
3-(4-methylphenoxy)pyrrolidine
CID 18337173
3-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine
CID 56830812
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 90093065
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
(3R)-3-(2-bromo-4-propan-2-ylphenoxy)pyrrolidine
CID 86322122
3-(4-nitrosophenoxy)pyrrolidine
CID 152791507
5-propan-2-yl-3-(4-pyrrolidin-3-yloxyphenyl)-1,2,4-oxadiazole
CID 86820417
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine?
The IUPAC name of (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine (CID 26192167) is (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine is CC(C)c1ccc(O[C@@H]2CCNC2)cc1.
What is the InChIKey of (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine?
The InChIKey is OIJKMXCBZFMSIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)11-3-5-12(6-4-11)15-13-7-8-14-9-13/h3-6,10,13-14H,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine?
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-propan-2-ylphenoxy)pyrrolidine is sourced from PubChem (CID 26192167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).