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

C13H18ClNO — CID 86322333

IUPAC(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
SMILESCC(C)c1cc(Cl)ccc1O[C@@H]1CCNC1
InChIInChI=1S/C13H18ClNO/c1-9(2)12-7-10(14)3-4-13(12)16-11-5-6-15-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyQFVYOCNFZHPTTN-LLVKDONJSA-N
MW239.75 g/mol
LogP3.20
Rot. Bonds3

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

(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine (PubChem CID 86322333) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
PubChem CID86322333
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine
SMILESCC(C)c1cc(Cl)ccc1O[C@@H]1CCNC1
InChIInChI=1S/C13H18ClNO/c1-9(2)12-7-10(14)3-4-13(12)16-11-5-6-15-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyQFVYOCNFZHPTTN-LLVKDONJSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323
(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322422
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
3-(2-chloro-4-propan-2-ylphenoxy)pyrrolidine
CID 56830812
3-[4-chloro-2-(3-chlorophenoxy)phenoxy]pyrrolidine
CID 67348330
3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
CID 56830904
(3S)-3-[4-chloro-2-(4-methylphenoxy)phenoxy]pyrrolidine
CID 46216005
(3R)-3-(2-bromo-4-propan-2-ylphenoxy)pyrrolidine
CID 86322122
(3S)-3-[2,6-di(propan-2-yl)phenoxy]pyrrolidine
CID 115460410
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
(3R)-3-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]pyrrolidine
CID 86322289
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine?
The IUPAC name of (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine (CID 86322333) is (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine is CC(C)c1cc(Cl)ccc1O[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine?
The InChIKey is QFVYOCNFZHPTTN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(2)12-7-10(14)3-4-13(12)16-11-5-6-15-8-11/h3-4,7,9,11,15H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine?
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine has a molecular weight of 239.75 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-2-propan-2-ylphenoxy)pyrrolidine is sourced from PubChem (CID 86322333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).