2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine

C13H18ClNO — CID 117352079

IUPAC2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
SMILESCOCc1ccc(CC2CCCN2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-16-9-11-5-4-10(8-13(11)14)7-12-3-2-6-15-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3
InChIKeyHBXXIKUZBVGBEC-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.78
Rot. Bonds4

About 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine

2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine (PubChem CID 117352079) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
PubChem CID117352079
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
SMILESCOCc1ccc(CC2CCCN2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-16-9-11-5-4-10(8-13(11)14)7-12-3-2-6-15-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3
InChIKeyHBXXIKUZBVGBEC-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[[2-chloro-4-(fluoromethyl)phenyl]methyl]piperidine
CID 117356635
2-[[3-chloro-4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidine
CID 117418728
2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 117447160
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
CID 117356661
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
CID 117377105

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine (CID 117352079) is 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine is COCc1ccc(CC2CCCN2)cc1Cl.
What is the InChIKey of 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The InChIKey is HBXXIKUZBVGBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-9-11-5-4-10(8-13(11)14)7-12-3-2-6-15-12/h4-5,8,12,15H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine has a molecular weight of 239.75 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117352079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).