N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline

C16H20N2O — CID 54863773

IUPACN-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
SMILESCC(Nc1cccc(N2CCCC2)c1)c1ccco1
InChIInChI=1S/C16H20N2O/c1-13(16-8-5-11-19-16)17-14-6-4-7-15(12-14)18-9-2-3-10-18/h4-8,11-13,17H,2-3,9-10H2,1H3
InChIKeyIZMDODDOXUOFGB-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline

N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline (PubChem CID 54863773) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
PubChem CID54863773
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
SMILESCC(Nc1cccc(N2CCCC2)c1)c1ccco1
InChIInChI=1S/C16H20N2O/c1-13(16-8-5-11-19-16)17-14-6-4-7-15(12-14)18-9-2-3-10-18/h4-8,11-13,17H,2-3,9-10H2,1H3
InChIKeyIZMDODDOXUOFGB-UHFFFAOYSA-N
XLogP4.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline (CID 54863773) is N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline is CC(Nc1cccc(N2CCCC2)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The InChIKey is IZMDODDOXUOFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(16-8-5-11-19-16)17-14-6-4-7-15(12-14)18-9-2-3-10-18/h4-8,11-13,17H,2-3,9-10H2,1H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline?
N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline has a molecular weight of 256.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 54863773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).