3-[(2-chlorophenyl)methoxymethyl]pyrrolidine

C12H16ClNO — CID 56829907

IUPAC3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
SMILESClc1ccccc1COCC1CCNC1
InChIInChI=1S/C12H16ClNO/c13-12-4-2-1-3-11(12)9-15-8-10-5-6-14-7-10/h1-4,10,14H,5-9H2
InChIKeyMPCVHHBWFYFXHE-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.47
Rot. Bonds4

About 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine

3-[(2-chlorophenyl)methoxymethyl]pyrrolidine (PubChem CID 56829907) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
PubChem CID56829907
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
SMILESClc1ccccc1COCC1CCNC1
InChIInChI=1S/C12H16ClNO/c13-12-4-2-1-3-11(12)9-15-8-10-5-6-14-7-10/h1-4,10,14H,5-9H2
InChIKeyMPCVHHBWFYFXHE-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
CID 115070735
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride
CID 71640400
(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
CID 86321771
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine (CID 56829907) is 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine is Clc1ccccc1COCC1CCNC1.
What is the InChIKey of 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine?
The InChIKey is MPCVHHBWFYFXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-12-4-2-1-3-11(12)9-15-8-10-5-6-14-7-10/h1-4,10,14H,5-9H2.
What are the key properties of 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine?
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine has a molecular weight of 225.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 56829907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).