2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

C14H22N2 — CID 10331008

IUPAC2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESc1ccc(CCNCCN2CCCC2)cc1
InChIInChI=1S/C14H22N2/c1-2-6-14(7-3-1)8-9-15-10-13-16-11-4-5-12-16/h1-3,6-7,15H,4-5,8-13H2
InChIKeyGIFMTTHSVHBWDY-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.91
Rot. Bonds6

About 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 10331008) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID10331008
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESc1ccc(CCNCCN2CCCC2)cc1
InChIInChI=1S/C14H22N2/c1-2-6-14(7-3-1)8-9-15-10-13-16-11-4-5-12-16/h1-3,6-7,15H,4-5,8-13H2
InChIKeyGIFMTTHSVHBWDY-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 10331008) is 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is c1ccc(CCNCCN2CCCC2)cc1.
What is the InChIKey of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is GIFMTTHSVHBWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-6-14(7-3-1)8-9-15-10-13-16-11-4-5-12-16/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 218.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 10331008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).