2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine

C15H22N2 — CID 117333037

IUPAC2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
SMILESCN1CC(c2ccccc2CC2CCCN2)C1
InChIInChI=1S/C15H22N2/c1-17-10-13(11-17)15-7-3-2-5-12(15)9-14-6-4-8-16-14/h2-3,5,7,13-14,16H,4,6,8-11H2,1H3
InChIKeyMJVFHIKIMHBVBG-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.01
Rot. Bonds3

About 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine

2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine (PubChem CID 117333037) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
PubChem CID117333037
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
SMILESCN1CC(c2ccccc2CC2CCCN2)C1
InChIInChI=1S/C15H22N2/c1-17-10-13(11-17)15-7-3-2-5-12(15)9-14-6-4-8-16-14/h2-3,5,7,13-14,16H,4,6,8-11H2,1H3
InChIKeyMJVFHIKIMHBVBG-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
CID 117363445
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine
CID 150704826
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195
1-methyl-7-(pyrrolidin-2-ylmethyl)indole
CID 82613446
2-[2-(1-methylazetidin-3-yl)phenyl]acetic acid
CID 83832858
2-(piperidin-2-ylmethyl)aniline
CID 84662844

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine (CID 117333037) is 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine is CN1CC(c2ccccc2CC2CCCN2)C1.
What is the InChIKey of 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine?
The InChIKey is MJVFHIKIMHBVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-10-13(11-17)15-7-3-2-5-12(15)9-14-6-4-8-16-14/h2-3,5,7,13-14,16H,4,6,8-11H2,1H3.
What are the key properties of 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine?
2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine has a molecular weight of 230.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117333037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).