2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine

C17H28N2 — CID 83227168

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(CN)N2C(C)CCC2CC)cc1
InChIInChI=1S/C17H28N2/c1-4-14-7-9-15(10-8-14)17(12-18)19-13(3)6-11-16(19)5-2/h7-10,13,16-17H,4-6,11-12,18H2,1-3H3
InChIKeyVJLHYAONEJRPKF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds5

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine

2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine (PubChem CID 83227168) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine
PubChem CID83227168
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(CN)N2C(C)CCC2CC)cc1
InChIInChI=1S/C17H28N2/c1-4-14-7-9-15(10-8-14)17(12-18)19-13(3)6-11-16(19)5-2/h7-10,13,16-17H,4-6,11-12,18H2,1-3H3
InChIKeyVJLHYAONEJRPKF-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine (CID 83227168) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine is CCc1ccc(C(CN)N2C(C)CCC2CC)cc1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine?
The InChIKey is VJLHYAONEJRPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14-7-9-15(10-8-14)17(12-18)19-13(3)6-11-16(19)5-2/h7-10,13,16-17H,4-6,11-12,18H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 83227168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).