(1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine

C10H12FNO — CID 175402531

IUPAC(1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine
SMILESCN[C@@H]1OCCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO/c1-12-10-9-3-2-8(11)6-7(9)4-5-13-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1
InChIKeyYXSXTWXYRVKPJZ-SNVBAGLBSA-N
MW181.21 g/mol
LogP1.62
Rot. Bonds1

About (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine

(1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine (PubChem CID 175402531) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine.

Molecular Properties

Compound Name(1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine
PubChem CID175402531
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine
SMILESCN[C@@H]1OCCc2cc(F)ccc21
InChIInChI=1S/C10H12FNO/c1-12-10-9-3-2-8(11)6-7(9)4-5-13-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1
InChIKeyYXSXTWXYRVKPJZ-SNVBAGLBSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The IUPAC name of (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine (CID 175402531) is (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine.
What is the SMILES notation for (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The canonical SMILES for (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine is CN[C@@H]1OCCc2cc(F)ccc21.
What is the InChIKey of (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The InChIKey is YXSXTWXYRVKPJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-10-9-3-2-8(11)6-7(9)4-5-13-10/h2-3,6,10,12H,4-5H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
(1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine has a molecular weight of 181.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-N-methyl-3,4-dihydro-1H-isochromen-1-amine is sourced from PubChem (CID 175402531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).