[(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine

C16H16FNO — CID 10377759

IUPAC[(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine
SMILESNC[C@H]1Cc2ccc(F)cc2[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H16FNO/c17-13-7-6-12-8-14(10-18)19-16(15(12)9-13)11-4-2-1-3-5-11/h1-7,9,14,16H,8,10,18H2/t14-,16-/m1/s1
InChIKeyAFYFIUCXBSVQSE-GDBMZVCRSA-N
MW257.31 g/mol
LogP2.82
Rot. Bonds2

About [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine

[(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine (PubChem CID 10377759) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine
PubChem CID10377759
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name[(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine
SMILESNC[C@H]1Cc2ccc(F)cc2[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H16FNO/c17-13-7-6-12-8-14(10-18)19-16(15(12)9-13)11-4-2-1-3-5-11/h1-7,9,14,16H,8,10,18H2/t14-,16-/m1/s1
InChIKeyAFYFIUCXBSVQSE-GDBMZVCRSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine?
The IUPAC name of [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine (CID 10377759) is [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine.
What is the SMILES notation for [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine?
The canonical SMILES for [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine is NC[C@H]1Cc2ccc(F)cc2[C@@H](c2ccccc2)O1.
What is the InChIKey of [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine?
The InChIKey is AFYFIUCXBSVQSE-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-7-6-12-8-14(10-18)19-16(15(12)9-13)11-4-2-1-3-5-11/h1-7,9,14,16H,8,10,18H2/t14-,16-/m1/s1.
What are the key properties of [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine?
[(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine has a molecular weight of 257.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine is sourced from PubChem (CID 10377759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).