(1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine

C13H17FN2O — CID 71216501

IUPAC(1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2c1ccc(N1CCOCC1)c2F
InChIInChI=1S/C13H17FN2O/c14-13-10-1-3-11(15)9(10)2-4-12(13)16-5-7-17-8-6-16/h2,4,11H,1,3,5-8,15H2/t11-/m0/s1
InChIKeyMJGUMTKSGFKEGS-NSHDSACASA-N
MW236.29 g/mol
LogP1.61
Rot. Bonds1

About (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine

(1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 71216501) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID71216501
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1CCc2c1ccc(N1CCOCC1)c2F
InChIInChI=1S/C13H17FN2O/c14-13-10-1-3-11(15)9(10)2-4-12(13)16-5-7-17-8-6-16/h2,4,11H,1,3,5-8,15H2/t11-/m0/s1
InChIKeyMJGUMTKSGFKEGS-NSHDSACASA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine (CID 71216501) is (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine is N[C@H]1CCc2c1ccc(N1CCOCC1)c2F.
What is the InChIKey of (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MJGUMTKSGFKEGS-NSHDSACASA-N. The full InChI is InChI=1S/C13H17FN2O/c14-13-10-1-3-11(15)9(10)2-4-12(13)16-5-7-17-8-6-16/h2,4,11H,1,3,5-8,15H2/t11-/m0/s1.
What are the key properties of (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
(1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 236.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 71216501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).