2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine

C13H18FNO2 — CID 114708695

IUPAC2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCOCC1(C)CC(N)c2cc(F)ccc2O1
InChIInChI=1S/C13H18FNO2/c1-3-16-8-13(2)7-11(15)10-6-9(14)4-5-12(10)17-13/h4-6,11H,3,7-8,15H2,1-2H3
InChIKeyINMAPKATWFOBPC-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.40
Rot. Bonds3

About 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine

2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 114708695) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID114708695
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCOCC1(C)CC(N)c2cc(F)ccc2O1
InChIInChI=1S/C13H18FNO2/c1-3-16-8-13(2)7-11(15)10-6-9(14)4-5-12(10)17-13/h4-6,11H,3,7-8,15H2,1-2H3
InChIKeyINMAPKATWFOBPC-UHFFFAOYSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104948348
2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709554
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68594998
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825097
(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944178
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene
CID 123599111
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine (CID 114708695) is 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine is CCOCC1(C)CC(N)c2cc(F)ccc2O1.
What is the InChIKey of 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is INMAPKATWFOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-16-8-13(2)7-11(15)10-6-9(14)4-5-12(10)17-13/h4-6,11H,3,7-8,15H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine?
2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114708695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).