2-phenyl-2-pyrrolidin-1-ylethanamine

C12H18N2 — CID 4992130

IUPAC2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H18N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,13H2
InChIKeyDIFGFCHLYHBEMH-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.78
Rot. Bonds3

About 2-phenyl-2-pyrrolidin-1-ylethanamine

2-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 4992130) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID4992130
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H18N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,13H2
InChIKeyDIFGFCHLYHBEMH-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-phenyl-2-pyrrolidin-1-ylethanamine (CID 4992130) is 2-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-phenyl-2-pyrrolidin-1-ylethanamine is NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is DIFGFCHLYHBEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,13H2.
What are the key properties of 2-phenyl-2-pyrrolidin-1-ylethanamine?
2-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 4992130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).