8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine

C12H16FNO — CID 71173446

IUPAC8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine
SMILESCC(C)Nc1cc(F)c2c(c1)CCCO2
InChIInChI=1S/C12H16FNO/c1-8(2)14-10-6-9-4-3-5-15-12(9)11(13)7-10/h6-8,14H,3-5H2,1-2H3
InChIKeyFXMPWAWAUQOXDX-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.97
Rot. Bonds2

About 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine

8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine (PubChem CID 71173446) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine
PubChem CID71173446
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine
SMILESCC(C)Nc1cc(F)c2c(c1)CCCO2
InChIInChI=1S/C12H16FNO/c1-8(2)14-10-6-9-4-3-5-15-12(9)11(13)7-10/h6-8,14H,3-5H2,1-2H3
InChIKeyFXMPWAWAUQOXDX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine (CID 71173446) is 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine is CC(C)Nc1cc(F)c2c(c1)CCCO2.
What is the InChIKey of 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is FXMPWAWAUQOXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(2)14-10-6-9-4-3-5-15-12(9)11(13)7-10/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine?
8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 209.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 71173446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).