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

C13H19NO2 — CID 114709554

IUPAC2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCOCC1(C)CC(N)c2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-3-15-9-13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,11H,3,8-9,14H2,1-2H3
InChIKeyHQZYDGRRZGLBTH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds3

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

2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 114709554) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID114709554
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCOCC1(C)CC(N)c2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-3-15-9-13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,11H,3,8-9,14H2,1-2H3
InChIKeyHQZYDGRRZGLBTH-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
CID 114708695
(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 104945926
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709383
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
(4R)-2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104948348
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712872
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine (CID 114709554) is 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine is CCOCC1(C)CC(N)c2ccccc2O1.
What is the InChIKey of 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is HQZYDGRRZGLBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-15-9-13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,11H,3,8-9,14H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine?
2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114709554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).