2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine

C15H24N2 — CID 113419035

IUPAC2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
SMILESCCC1CCN(C(CNC)c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-3-13-9-10-17(12-13)15(11-16-2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3
InChIKeyXUBONYUEWQBGJJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.68
Rot. Bonds5

About 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine

2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine (PubChem CID 113419035) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
PubChem CID113419035
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
SMILESCCC1CCN(C(CNC)c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-3-13-9-10-17(12-13)15(11-16-2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3
InChIKeyXUBONYUEWQBGJJ-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
CID 64583795
2-(2-ethylmorpholin-4-yl)-N-methyl-2-phenylethanamine
CID 62433539
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
1-(1-benzhydrylpyrrolidin-3-yl)-N-methylmethanamine;ethane
CID 91616896
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
1-benzhydryl-3-ethylpiperidine
CID 22970041
N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
CID 62974266
N,3-dimethyl-1-(1-phenylpropyl)piperidin-4-amine
CID 62304545
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
CID 63467927

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine (CID 113419035) is 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine is CCC1CCN(C(CNC)c2ccccc2)C1.
What is the InChIKey of 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine?
The InChIKey is XUBONYUEWQBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-9-10-17(12-13)15(11-16-2)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12H2,1-2H3.
What are the key properties of 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine?
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 113419035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).