(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine

C17H22N2O — CID 69249184

IUPAC(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine
SMILESCCc1ccc(CN[C@@H]2CCN[C@@H]2c2ccccc2)o1
InChIInChI=1S/C17H22N2O/c1-2-14-8-9-15(20-14)12-19-16-10-11-18-17(16)13-6-4-3-5-7-13/h3-9,16-19H,2,10-12H2,1H3/t16-,17-/m1/s1
InChIKeyGMDYJHKAIYFLJZ-IAGOWNOFSA-N
MW270.38 g/mol
LogP3.03
Rot. Bonds5

About (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine

(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine (PubChem CID 69249184) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine
PubChem CID69249184
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine
SMILESCCc1ccc(CN[C@@H]2CCN[C@@H]2c2ccccc2)o1
InChIInChI=1S/C17H22N2O/c1-2-14-8-9-15(20-14)12-19-16-10-11-18-17(16)13-6-4-3-5-7-13/h3-9,16-19H,2,10-12H2,1H3/t16-,17-/m1/s1
InChIKeyGMDYJHKAIYFLJZ-IAGOWNOFSA-N
XLogP3.03
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine?
The IUPAC name of (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine (CID 69249184) is (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine is CCc1ccc(CN[C@@H]2CCN[C@@H]2c2ccccc2)o1.
What is the InChIKey of (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine?
The InChIKey is GMDYJHKAIYFLJZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-14-8-9-15(20-14)12-19-16-10-11-18-17(16)13-6-4-3-5-7-13/h3-9,16-19H,2,10-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine?
(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine is sourced from PubChem (CID 69249184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).