1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine

C12H18N2 — CID 62976686

IUPAC1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccccc1NC1CCN(C)C1
InChIInChI=1S/C12H18N2/c1-10-5-3-4-6-12(10)13-11-7-8-14(2)9-11/h3-6,11,13H,7-9H2,1-2H3
InChIKeyJBROHDJYHHYKNC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.11
Rot. Bonds2

About 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine

1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine (PubChem CID 62976686) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
PubChem CID62976686
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccccc1NC1CCN(C)C1
InChIInChI=1S/C12H18N2/c1-10-5-3-4-6-12(10)13-11-7-8-14(2)9-11/h3-6,11,13H,7-9H2,1-2H3
InChIKeyJBROHDJYHHYKNC-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine (CID 62976686) is 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine is Cc1ccccc1NC1CCN(C)C1.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine?
The InChIKey is JBROHDJYHHYKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-5-3-4-6-12(10)13-11-7-8-14(2)9-11/h3-6,11,13H,7-9H2,1-2H3.
What are the key properties of 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine?
1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 62976686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).