1-(5-chloro-2-methoxyphenyl)pyrrolidine

C11H14ClNO — CID 82538228

IUPAC1-(5-chloro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(Cl)cc1N1CCCC1
InChIInChI=1S/C11H14ClNO/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyCJCAAEYXPNFRDJ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.95
Rot. Bonds2

About 1-(5-chloro-2-methoxyphenyl)pyrrolidine

1-(5-chloro-2-methoxyphenyl)pyrrolidine (PubChem CID 82538228) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)pyrrolidine
PubChem CID82538228
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(Cl)cc1N1CCCC1
InChIInChI=1S/C11H14ClNO/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyCJCAAEYXPNFRDJ-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929968
1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
CID 117002920
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668
1-(5-chloro-2-methoxyphenyl)-3,3-difluoropyrrolidine
CID 117007621
1-(5-chloro-2-methoxyphenyl)-5,5-dimethyl-1,4-diazepane
CID 117023774
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379
3-tert-butyl-1-(5-chloro-2-methoxyphenyl)-1,4-diazepane
CID 64944939
3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-methoxypropan-1-amine
CID 19795939
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110571137
4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033
1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine
CID 11427211
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)pyrrolidine (CID 82538228) is 1-(5-chloro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)pyrrolidine is COc1ccc(Cl)cc1N1CCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)pyrrolidine?
The InChIKey is CJCAAEYXPNFRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-11-5-4-9(12)8-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)pyrrolidine?
1-(5-chloro-2-methoxyphenyl)pyrrolidine has a molecular weight of 211.69 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 82538228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).