(3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine

C16H22ClFN2O — CID 124614479

IUPAC(3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine
SMILESC[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCOC1
InChIInChI=1S/C16H22ClFN2O/c1-11(12-5-7-21-10-12)19-13-4-6-20(9-13)14-2-3-15(17)16(18)8-14/h2-3,8,11-13,19H,4-7,9-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyYWOVAYUCOJONLI-RWMBFGLXSA-N
MW312.82 g/mol
LogP3.07
Rot. Bonds4

About (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine

(3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine (PubChem CID 124614479) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine
PubChem CID124614479
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name(3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine
SMILESC[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCOC1
InChIInChI=1S/C16H22ClFN2O/c1-11(12-5-7-21-10-12)19-13-4-6-20(9-13)14-2-3-15(17)16(18)8-14/h2-3,8,11-13,19H,4-7,9-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyYWOVAYUCOJONLI-RWMBFGLXSA-N
XLogP3.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]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-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine (CID 124614479) is (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine is C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCOC1.
What is the InChIKey of (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine?
The InChIKey is YWOVAYUCOJONLI-RWMBFGLXSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-11(12-5-7-21-10-12)19-13-4-6-20(9-13)14-2-3-15(17)16(18)8-14/h2-3,8,11-13,19H,4-7,9-10H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine?
(3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine has a molecular weight of 312.82 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 124614479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).