2-[(2-methylphenyl)methyl]pyrrolidine

C12H17N — CID 3901706

IUPAC2-[(2-methylphenyl)methyl]pyrrolidine
SMILESCc1ccccc1CC1CCCN1
InChIInChI=1S/C12H17N/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKeyAEVCYCAGTSOXAE-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.29
Rot. Bonds2

About 2-[(2-methylphenyl)methyl]pyrrolidine

2-[(2-methylphenyl)methyl]pyrrolidine (PubChem CID 3901706) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]pyrrolidine
PubChem CID3901706
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-[(2-methylphenyl)methyl]pyrrolidine
SMILESCc1ccccc1CC1CCCN1
InChIInChI=1S/C12H17N/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKeyAEVCYCAGTSOXAE-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-methylphenyl)methyl]pyrrolidine (CID 3901706) is 2-[(2-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]pyrrolidine is Cc1ccccc1CC1CCCN1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]pyrrolidine?
The InChIKey is AEVCYCAGTSOXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12/h2-3,5-6,12-13H,4,7-9H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]pyrrolidine?
2-[(2-methylphenyl)methyl]pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 3901706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).