(3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine

C13H19FN2O — CID 11310959

IUPAC(3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine
SMILESCN(C)[C@H]1COC[C@@H]1NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-16(2)13-9-17-8-12(13)15-7-10-3-5-11(14)6-4-10/h3-6,12-13,15H,7-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyOSGMFJQIWHVTBL-STQMWFEESA-N
MW238.31 g/mol
LogP1.24
Rot. Bonds4

About (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine

(3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine (PubChem CID 11310959) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine
PubChem CID11310959
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine
SMILESCN(C)[C@H]1COC[C@@H]1NCc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-16(2)13-9-17-8-12(13)15-7-10-3-5-11(14)6-4-10/h3-6,12-13,15H,7-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyOSGMFJQIWHVTBL-STQMWFEESA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine?
The IUPAC name of (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine (CID 11310959) is (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine.
What is the SMILES notation for (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine?
The canonical SMILES for (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine is CN(C)[C@H]1COC[C@@H]1NCc1ccc(F)cc1.
What is the InChIKey of (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine?
The InChIKey is OSGMFJQIWHVTBL-STQMWFEESA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(2)13-9-17-8-12(13)15-7-10-3-5-11(14)6-4-10/h3-6,12-13,15H,7-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine?
(3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine has a molecular weight of 238.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-N-[(4-fluorophenyl)methyl]-3-N,3-N-dimethyloxolane-3,4-diamine is sourced from PubChem (CID 11310959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).