N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine

C13H17FN2O — CID 141128982

IUPACN-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
SMILESFNC1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C13H17FN2O/c14-15-13-4-1-10-9-11(2-3-12(10)13)16-5-7-17-8-6-16/h2-3,9,13,15H,1,4-8H2
InChIKeyLMNKACHHYKJKPQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.98
Rot. Bonds2

About N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine

N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 141128982) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID141128982
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine
SMILESFNC1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C13H17FN2O/c14-15-13-4-1-10-9-11(2-3-12(10)13)16-5-7-17-8-6-16/h2-3,9,13,15H,1,4-8H2
InChIKeyLMNKACHHYKJKPQ-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine (CID 141128982) is N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine is FNC1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LMNKACHHYKJKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-15-13-4-1-10-9-11(2-3-12(10)13)16-5-7-17-8-6-16/h2-3,9,13,15H,1,4-8H2.
What are the key properties of N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine?
N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 236.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-5-morpholin-4-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 141128982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).