4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol

C11H15NO2 — CID 163222163

IUPAC4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol
SMILESCC1(C)COc2cccc(O)c2C1N
InChIInChI=1S/C11H15NO2/c1-11(2)6-14-8-5-3-4-7(13)9(8)10(11)12/h3-5,10,13H,6,12H2,1-2H3
InChIKeyROJLGBNYOBHPSO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.81
Rot. Bonds

About 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol

4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol (PubChem CID 163222163) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol
PubChem CID163222163
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol
SMILESCC1(C)COc2cccc(O)c2C1N
InChIInChI=1S/C11H15NO2/c1-11(2)6-14-8-5-3-4-7(13)9(8)10(11)12/h3-5,10,13H,6,12H2,1-2H3
InChIKeyROJLGBNYOBHPSO-UHFFFAOYSA-N
XLogP1.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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CID 13247950
(3S)-3-amino-4,4-dimethyloxolan-2-one;iminoazanium
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3-(2-hydroxybenzoyl)-4,4-dimethyloxolan-2-one
CID 13244745
2-(4-hydroxy-2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 117200227
3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117200214
3-amino-3,4-dihydro-2H-chromen-5-ol
CID 22366572
4,9b-dihydrocyclopenta[c]chromen-9-ol
CID 139434305
5-chloro-3,3-difluoro-4-methyl-2,4-dihydrochromene;ethane
CID 156843570
(4R)-4-amino-5-ethyl-3,4-dihydro-2H-chromen-6-ol
CID 130699791
4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-10-ol
CID 14151605
3,3,6-trimethyl-2,4-dihydro-1,5-benzodioxepine
CID 156791936
8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 105427855

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol?
The IUPAC name of 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol (CID 163222163) is 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol.
What is the SMILES notation for 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol?
The canonical SMILES for 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol is CC1(C)COc2cccc(O)c2C1N.
What is the InChIKey of 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol?
The InChIKey is ROJLGBNYOBHPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2)6-14-8-5-3-4-7(13)9(8)10(11)12/h3-5,10,13H,6,12H2,1-2H3.
What are the key properties of 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol?
4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol has a molecular weight of 193.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-2,4-dihydrochromen-5-ol is sourced from PubChem (CID 163222163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).