1-methyl-2-(2-methylphenyl)pyrrolidine

C12H17N — CID 12625601

IUPAC1-methyl-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1C1CCCN1C
InChIInChI=1S/C12H17N/c1-10-6-3-4-7-11(10)12-8-5-9-13(12)2/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyJRZMWCKLABIBLI-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.76
Rot. Bonds1

About 1-methyl-2-(2-methylphenyl)pyrrolidine

1-methyl-2-(2-methylphenyl)pyrrolidine (PubChem CID 12625601) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)pyrrolidine
PubChem CID12625601
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-methyl-2-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1C1CCCN1C
InChIInChI=1S/C12H17N/c1-10-6-3-4-7-11(10)12-8-5-9-13(12)2/h3-4,6-7,12H,5,8-9H2,1-2H3
InChIKeyJRZMWCKLABIBLI-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(2-methylphenyl)pyrrolidine (CID 12625601) is 1-methyl-2-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)pyrrolidine is Cc1ccccc1C1CCCN1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)pyrrolidine?
The InChIKey is JRZMWCKLABIBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-6-3-4-7-11(10)12-8-5-9-13(12)2/h3-4,6-7,12H,5,8-9H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)pyrrolidine?
1-methyl-2-(2-methylphenyl)pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 12625601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).