7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C14H18FNO2 — CID 114710240

IUPAC7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCC(C2CC(N)c3ccc(F)cc3O2)O1
InChIInChI=1S/C14H18FNO2/c1-8-2-5-12(17-8)14-7-11(16)10-4-3-9(15)6-13(10)18-14/h3-4,6,8,11-12,14H,2,5,7,16H2,1H3
InChIKeyXZOHPYUVPYGRJZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.54
Rot. Bonds1

About 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine

7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710240) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710240
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CCC(C2CC(N)c3ccc(F)cc3O2)O1
InChIInChI=1S/C14H18FNO2/c1-8-2-5-12(17-8)14-7-11(16)10-4-3-9(15)6-13(10)18-14/h3-4,6,8,11-12,14H,2,5,7,16H2,1H3
InChIKeyXZOHPYUVPYGRJZ-UHFFFAOYSA-N
XLogP2.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951765
(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947810
(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947805
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762
(4S)-2-butan-2-yl-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947666
(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947818
(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
CID 104947821
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114710240) is 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CC1CCC(C2CC(N)c3ccc(F)cc3O2)O1.
What is the InChIKey of 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XZOHPYUVPYGRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-8-2-5-12(17-8)14-7-11(16)10-4-3-9(15)6-13(10)18-14/h3-4,6,8,11-12,14H,2,5,7,16H2,1H3.
What are the key properties of 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 251.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).