(1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine

C15H20FNO2 — CID 90088041

IUPAC(1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
SMILESCO[C@H](c1ccc(C2=CCOCC2)cc1)[C@H](N)CF
InChIInChI=1S/C15H20FNO2/c1-18-15(14(17)10-16)13-4-2-11(3-5-13)12-6-8-19-9-7-12/h2-6,14-15H,7-10,17H2,1H3/t14-,15-/m1/s1
InChIKeyQOXZYNYNRFGMQM-HUUCEWRRSA-N
MW265.33 g/mol
LogP2.47
Rot. Bonds5

About (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine

(1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine (PubChem CID 90088041) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
PubChem CID90088041
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine
SMILESCO[C@H](c1ccc(C2=CCOCC2)cc1)[C@H](N)CF
InChIInChI=1S/C15H20FNO2/c1-18-15(14(17)10-16)13-4-2-11(3-5-13)12-6-8-19-9-7-12/h2-6,14-15H,7-10,17H2,1H3/t14-,15-/m1/s1
InChIKeyQOXZYNYNRFGMQM-HUUCEWRRSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The IUPAC name of (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine (CID 90088041) is (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine.
What is the SMILES notation for (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The canonical SMILES for (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine is CO[C@H](c1ccc(C2=CCOCC2)cc1)[C@H](N)CF.
What is the InChIKey of (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
The InChIKey is QOXZYNYNRFGMQM-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-18-15(14(17)10-16)13-4-2-11(3-5-13)12-6-8-19-9-7-12/h2-6,14-15H,7-10,17H2,1H3/t14-,15-/m1/s1.
What are the key properties of (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine?
(1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine has a molecular weight of 265.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-3-fluoro-1-methoxypropan-2-amine is sourced from PubChem (CID 90088041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).