(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine

C12H16ClNO2 — CID 66519603

IUPAC(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc([C@@H]2CCCN2)c(Cl)c1OC
InChIInChI=1S/C12H16ClNO2/c1-15-10-6-5-8(9-4-3-7-14-9)11(13)12(10)16-2/h5-6,9,14H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeySOGMWNYCGXEVDC-VIFPVBQESA-N
MW241.72 g/mol
LogP2.78
Rot. Bonds3

About (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine

(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine (PubChem CID 66519603) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
PubChem CID66519603
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1ccc([C@@H]2CCCN2)c(Cl)c1OC
InChIInChI=1S/C12H16ClNO2/c1-15-10-6-5-8(9-4-3-7-14-9)11(13)12(10)16-2/h5-6,9,14H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeySOGMWNYCGXEVDC-VIFPVBQESA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 77131807
(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
CID 171196102
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine?
The IUPAC name of (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine (CID 66519603) is (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine is COc1ccc([C@@H]2CCCN2)c(Cl)c1OC.
What is the InChIKey of (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine?
The InChIKey is SOGMWNYCGXEVDC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-10-6-5-8(9-4-3-7-14-9)11(13)12(10)16-2/h5-6,9,14H,3-4,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine?
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine has a molecular weight of 241.72 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 66519603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).