2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine

C13H18ClNO — CID 84800143

IUPAC2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
SMILESCC(C)Oc1cc(C2CCCN2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-9(2)16-13-8-10(5-6-11(13)14)12-4-3-7-15-12/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyKECXBMBMGLXBKT-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.55
Rot. Bonds3

About 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine

2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine (PubChem CID 84800143) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
PubChem CID84800143
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
SMILESCC(C)Oc1cc(C2CCCN2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-9(2)16-13-8-10(5-6-11(13)14)12-4-3-7-15-12/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyKECXBMBMGLXBKT-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
2-(3-fluoro-4-propan-2-yloxyphenyl)piperidine
CID 82291972
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
CID 55270648
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine?
The IUPAC name of 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine (CID 84800143) is 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine?
The canonical SMILES for 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine is CC(C)Oc1cc(C2CCCN2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine?
The InChIKey is KECXBMBMGLXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(2)16-13-8-10(5-6-11(13)14)12-4-3-7-15-12/h5-6,8-9,12,15H,3-4,7H2,1-2H3.
What are the key properties of 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine?
2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine has a molecular weight of 239.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine is sourced from PubChem (CID 84800143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).