1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine

C16H24N2 — CID 166534704

IUPAC1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine
SMILESCc1cc(C2CNC2)cc(C)c1CN1CCCC1
InChIInChI=1S/C16H24N2/c1-12-7-14(15-9-17-10-15)8-13(2)16(12)11-18-5-3-4-6-18/h7-8,15,17H,3-6,9-11H2,1-2H3
InChIKeyDRVYEBSVFUPQRG-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.59
Rot. Bonds3

About 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine

1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine (PubChem CID 166534704) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine
PubChem CID166534704
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine
SMILESCc1cc(C2CNC2)cc(C)c1CN1CCCC1
InChIInChI=1S/C16H24N2/c1-12-7-14(15-9-17-10-15)8-13(2)16(12)11-18-5-3-4-6-18/h7-8,15,17H,3-6,9-11H2,1-2H3
InChIKeyDRVYEBSVFUPQRG-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine?
The IUPAC name of 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine (CID 166534704) is 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine?
The canonical SMILES for 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine is Cc1cc(C2CNC2)cc(C)c1CN1CCCC1.
What is the InChIKey of 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine?
The InChIKey is DRVYEBSVFUPQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-7-14(15-9-17-10-15)8-13(2)16(12)11-18-5-3-4-6-18/h7-8,15,17H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine?
1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine has a molecular weight of 244.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(azetidin-3-yl)-2,6-dimethylphenyl]methyl]pyrrolidine is sourced from PubChem (CID 166534704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).