(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine

C16H18N2O — CID 51663674

IUPAC(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C16H18N2O/c17-13-10-11-18(12-13)14-6-8-16(9-7-14)19-15-4-2-1-3-5-15/h1-9,13H,10-12,17H2/t13-/m1/s1
InChIKeySGWBRVIWOWPQCE-CYBMUJFWSA-N
MW254.33 g/mol
LogP3.02
Rot. Bonds3

About (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine

(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine (PubChem CID 51663674) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine
PubChem CID51663674
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C16H18N2O/c17-13-10-11-18(12-13)14-6-8-16(9-7-14)19-15-4-2-1-3-5-15/h1-9,13H,10-12,17H2/t13-/m1/s1
InChIKeySGWBRVIWOWPQCE-CYBMUJFWSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine (CID 51663674) is (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine is N[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine?
The InChIKey is SGWBRVIWOWPQCE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N2O/c17-13-10-11-18(12-13)14-6-8-16(9-7-14)19-15-4-2-1-3-5-15/h1-9,13H,10-12,17H2/t13-/m1/s1.
What are the key properties of (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine?
(3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine has a molecular weight of 254.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-phenoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 51663674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).