2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine

C12H16ClNO — CID 117271928

IUPAC2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1(c2ccccc2Cl)CCCN1
InChIInChI=1S/C12H16ClNO/c1-15-9-12(7-4-8-14-12)10-5-2-3-6-11(10)13/h2-3,5-6,14H,4,7-9H2,1H3
InChIKeyCRZHIQTVKPBKGA-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine

2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 117271928) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
PubChem CID117271928
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1(c2ccccc2Cl)CCCN1
InChIInChI=1S/C12H16ClNO/c1-15-9-12(7-4-8-14-12)10-5-2-3-6-11(10)13/h2-3,5-6,14H,4,7-9H2,1H3
InChIKeyCRZHIQTVKPBKGA-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(methoxymethyl)piperidine
CID 117272084
tert-butyl N-[[2-(2-chlorophenyl)pyrrolidin-2-yl]methyl]carbamate
CID 115059198
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922
[2-(2-chlorophenyl)azetidin-2-yl]methanamine
CID 115059255
2-(2-chlorophenyl)-2-(2-methylpropyl)azetidine
CID 115058529
[2-(2-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 115103415
2-(methoxymethyl)-2-(3-methylphenyl)piperidine
CID 117272068
2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine
CID 104660354
2-[2-(aminomethyl)pyrrolidin-2-yl]phenol
CID 115059279
3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
CID 115035322
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070290

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine (CID 117271928) is 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine is COCC1(c2ccccc2Cl)CCCN1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is CRZHIQTVKPBKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-9-12(7-4-8-14-12)10-5-2-3-6-11(10)13/h2-3,5-6,14H,4,7-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine?
2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 225.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 117271928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).