(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine

C12H17NO — CID 104945969

IUPAC(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCC1(C)C[C@H](N)c2ccccc2O1
InChIInChI=1S/C12H17NO/c1-3-12(2)8-10(13)9-6-4-5-7-11(9)14-12/h4-7,10H,3,8,13H2,1-2H3/t10-,12?/m0/s1
InChIKeyGRSLNYGHBQAPEG-NUHJPDEHSA-N
MW191.27 g/mol
LogP2.64
Rot. Bonds1

About (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine

(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 104945969) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID104945969
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCC1(C)C[C@H](N)c2ccccc2O1
InChIInChI=1S/C12H17NO/c1-3-12(2)8-10(13)9-6-4-5-7-11(9)14-12/h4-7,10H,3,8,13H2,1-2H3/t10-,12?/m0/s1
InChIKeyGRSLNYGHBQAPEG-NUHJPDEHSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709554
(4S)-2-(cyclobutylmethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 104945926
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709383
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709557

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine (CID 104945969) is (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine is CCC1(C)C[C@H](N)c2ccccc2O1.
What is the InChIKey of (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is GRSLNYGHBQAPEG-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(2)8-10(13)9-6-4-5-7-11(9)14-12/h4-7,10H,3,8,13H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
(4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 191.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104945969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).