2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine

C15H24N2 — CID 79182595

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)N1CC(C)C(C)C1
InChIInChI=1S/C15H24N2/c1-11-6-4-5-7-14(11)15(8-16)17-9-12(2)13(3)10-17/h4-7,12-13,15H,8-10,16H2,1-3H3
InChIKeyUGDOPTFNFYXARU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.58
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 79182595) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
PubChem CID79182595
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(CN)N1CC(C)C(C)C1
InChIInChI=1S/C15H24N2/c1-11-6-4-5-7-14(11)15(8-16)17-9-12(2)13(3)10-17/h4-7,12-13,15H,8-10,16H2,1-3H3
InChIKeyUGDOPTFNFYXARU-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine (CID 79182595) is 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1C(CN)N1CC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is UGDOPTFNFYXARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-6-4-5-7-14(11)15(8-16)17-9-12(2)13(3)10-17/h4-7,12-13,15H,8-10,16H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 79182595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).