(2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine

C25H28N2O — CID 69249147

IUPAC(2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
SMILESCCc1ccc(Oc2cccc(CN[C@@H]3CCN[C@@H]3c3ccccc3)c2)cc1
InChIInChI=1S/C25H28N2O/c1-2-19-11-13-22(14-12-19)28-23-10-6-7-20(17-23)18-27-24-15-16-26-25(24)21-8-4-3-5-9-21/h3-14,17,24-27H,2,15-16,18H2,1H3/t24-,25-/m1/s1
InChIKeyWWRUURDZCUGKNH-JWQCQUIFSA-N
MW372.51 g/mol
LogP5.23
Rot. Bonds7

About (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine

(2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine (PubChem CID 69249147) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
PubChem CID69249147
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
SMILESCCc1ccc(Oc2cccc(CN[C@@H]3CCN[C@@H]3c3ccccc3)c2)cc1
InChIInChI=1S/C25H28N2O/c1-2-19-11-13-22(14-12-19)28-23-10-6-7-20(17-23)18-27-24-15-16-26-25(24)21-8-4-3-5-9-21/h3-14,17,24-27H,2,15-16,18H2,1H3/t24-,25-/m1/s1
InChIKeyWWRUURDZCUGKNH-JWQCQUIFSA-N
XLogP5.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine?
The IUPAC name of (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine (CID 69249147) is (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine is CCc1ccc(Oc2cccc(CN[C@@H]3CCN[C@@H]3c3ccccc3)c2)cc1.
What is the InChIKey of (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine?
The InChIKey is WWRUURDZCUGKNH-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H28N2O/c1-2-19-11-13-22(14-12-19)28-23-10-6-7-20(17-23)18-27-24-15-16-26-25(24)21-8-4-3-5-9-21/h3-14,17,24-27H,2,15-16,18H2,1H3/t24-,25-/m1/s1.
What are the key properties of (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine?
(2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine has a molecular weight of 372.51 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine is sourced from PubChem (CID 69249147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).