1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine

C16H21F2NO2 — CID 151924492

IUPAC1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine
SMILESCC(C)CC(N)COC1=C2OC=CC=C2CC=C1C(F)F
InChIInChI=1S/C16H21F2NO2/c1-10(2)8-12(19)9-21-15-13(16(17)18)6-5-11-4-3-7-20-14(11)15/h3-4,6-7,10,12,16H,5,8-9,19H2,1-2H3
InChIKeySXLUGOSVIYGFMT-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.65
Rot. Bonds6

About 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine

1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine (PubChem CID 151924492) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine
PubChem CID151924492
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine
SMILESCC(C)CC(N)COC1=C2OC=CC=C2CC=C1C(F)F
InChIInChI=1S/C16H21F2NO2/c1-10(2)8-12(19)9-21-15-13(16(17)18)6-5-11-4-3-7-20-14(11)15/h3-4,6-7,10,12,16H,5,8-9,19H2,1-2H3
InChIKeySXLUGOSVIYGFMT-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine?
The IUPAC name of 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine (CID 151924492) is 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine.
What is the SMILES notation for 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine?
The canonical SMILES for 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine is CC(C)CC(N)COC1=C2OC=CC=C2CC=C1C(F)F.
What is the InChIKey of 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine?
The InChIKey is SXLUGOSVIYGFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-10(2)8-12(19)9-21-15-13(16(17)18)6-5-11-4-3-7-20-14(11)15/h3-4,6-7,10,12,16H,5,8-9,19H2,1-2H3.
What are the key properties of 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine?
1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine has a molecular weight of 297.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(difluoromethyl)-5H-chromen-8-yl]oxy]-4-methylpentan-2-amine is sourced from PubChem (CID 151924492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).