3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine

C14H20N2 — CID 116988525

IUPAC3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
SMILESCN1CCC(c2cccc(C3CNC3)c2)C1
InChIInChI=1S/C14H20N2/c1-16-6-5-13(10-16)11-3-2-4-12(7-11)14-8-15-9-14/h2-4,7,13-15H,5-6,8-10H2,1H3
InChIKeyLWBGDAZMPKDFCZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.79
Rot. Bonds2

About 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine

3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine (PubChem CID 116988525) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
PubChem CID116988525
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
SMILESCN1CCC(c2cccc(C3CNC3)c2)C1
InChIInChI=1S/C14H20N2/c1-16-6-5-13(10-16)11-3-2-4-12(7-11)14-8-15-9-14/h2-4,7,13-15H,5-6,8-10H2,1H3
InChIKeyLWBGDAZMPKDFCZ-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
CID 176580102
CID 176580102
CID 176580101
CID 176580101
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
(3R)-1-methyl-3-naphthalen-2-ylpyrrolidine
CID 97355477
1-methyl-3-[3-(1-phenylethenyl)phenyl]pyrrolidine
CID 66742877
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
[4-[3-(1-methylpyrrolidin-3-yl)phenyl]phenyl]methanamine
CID 116988532
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanamine
CID 115032201

Frequently Asked Questions

What is the IUPAC name of 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine?
The IUPAC name of 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine (CID 116988525) is 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine.
What is the SMILES notation for 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine?
The canonical SMILES for 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine is CN1CCC(c2cccc(C3CNC3)c2)C1.
What is the InChIKey of 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine?
The InChIKey is LWBGDAZMPKDFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-16-6-5-13(10-16)11-3-2-4-12(7-11)14-8-15-9-14/h2-4,7,13-15H,5-6,8-10H2,1H3.
What are the key properties of 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine?
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine has a molecular weight of 216.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine is sourced from PubChem (CID 116988525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).