2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine

C13H19NO2 — CID 114709383

IUPAC2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCOC(C)C1(C)CC(N)c2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-9(15-3)13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,9,11H,8,14H2,1-3H3
InChIKeyUOIGWTVLVORRQW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds2

About 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine

2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 114709383) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID114709383
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCOC(C)C1(C)CC(N)c2ccccc2O1
InChIInChI=1S/C13H19NO2/c1-9(15-3)13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,9,11H,8,14H2,1-3H3
InChIKeyUOIGWTVLVORRQW-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114714861
(4R)-2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104950040
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104945969
2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709554
(4S)-2-(1-methoxyethyl)-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950510
(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 104945926
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine (CID 114709383) is 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine is COC(C)C1(C)CC(N)c2ccccc2O1.
What is the InChIKey of 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is UOIGWTVLVORRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(15-3)13(2)8-11(14)10-6-4-5-7-12(10)16-13/h4-7,9,11H,8,14H2,1-3H3.
What are the key properties of 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine?
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114709383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).