[(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine

C20H24F2N2O — CID 10569595

IUPAC[(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H24F2N2O/c21-17-7-3-15(4-8-17)20(16-5-9-18(22)10-6-16)25-13-12-24-11-1-2-19(24)14-23/h3-10,19-20H,1-2,11-14,23H2/t19-/m0/s1
InChIKeyBGDMGLDMRWAJBY-IBGZPJMESA-N
MW346.42 g/mol
LogP3.49
Rot. Bonds7

About [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine

[(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 10569595) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine
PubChem CID10569595
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name[(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1CCCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H24F2N2O/c21-17-7-3-15(4-8-17)20(16-5-9-18(22)10-6-16)25-13-12-24-11-1-2-19(24)14-23/h3-10,19-20H,1-2,11-14,23H2/t19-/m0/s1
InChIKeyBGDMGLDMRWAJBY-IBGZPJMESA-N
XLogP3.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine 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 [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine (CID 10569595) is [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine is NC[C@@H]1CCCN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is BGDMGLDMRWAJBY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24F2N2O/c21-17-7-3-15(4-8-17)20(16-5-9-18(22)10-6-16)25-13-12-24-11-1-2-19(24)14-23/h3-10,19-20H,1-2,11-14,23H2/t19-/m0/s1.
What are the key properties of [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine?
[(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 346.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 10569595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).