8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C14H19FN2O2 — CID 82188166

IUPAC8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2cccc(F)c2OCC1CN1CCOCC1
InChIInChI=1S/C14H19FN2O2/c15-12-3-1-2-11-13(16)10(9-19-14(11)12)8-17-4-6-18-7-5-17/h1-3,10,13H,4-9,16H2
InChIKeyJQYYYRZPDHCQJZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.17
Rot. Bonds2

About 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188166) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188166
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2cccc(F)c2OCC1CN1CCOCC1
InChIInChI=1S/C14H19FN2O2/c15-12-3-1-2-11-13(16)10(9-19-14(11)12)8-17-4-6-18-7-5-17/h1-3,10,13H,4-9,16H2
InChIKeyJQYYYRZPDHCQJZ-UHFFFAOYSA-N
XLogP1.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82188166) is 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is NC1c2cccc(F)c2OCC1CN1CCOCC1.
What is the InChIKey of 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JQYYYRZPDHCQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-3-1-2-11-13(16)10(9-19-14(11)12)8-17-4-6-18-7-5-17/h1-3,10,13H,4-9,16H2.
What are the key properties of 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 266.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).