6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol

C13H19NO3 — CID 78032660

IUPAC6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol
SMILESCNc1cc2c(cc1OC)CC(O)C(C)(C)O2
InChIInChI=1S/C13H19NO3/c1-13(2)12(15)6-8-5-11(16-4)9(14-3)7-10(8)17-13/h5,7,12,14-15H,6H2,1-4H3
InChIKeyKLQCJNFOMOLGEX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.81
Rot. Bonds2

About 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol

6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol (PubChem CID 78032660) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol
PubChem CID78032660
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol
SMILESCNc1cc2c(cc1OC)CC(O)C(C)(C)O2
InChIInChI=1S/C13H19NO3/c1-13(2)12(15)6-8-5-11(16-4)9(14-3)7-10(8)17-13/h5,7,12,14-15H,6H2,1-4H3
InChIKeyKLQCJNFOMOLGEX-UHFFFAOYSA-N
XLogP1.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-(2-phenylethyl)carbamate;7-(dimethylamino)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 143093976
3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one
CID 131752232
(3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
CID 1150962
N,N-diethyl-3-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromene-7-carboxamide
CID 102242812
3-[(3S)-3,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5-hydroxy-7-methoxychromen-4-one
CID 163067079
6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromene-3,4-diol
CID 13422120
3-hydroxy-7-(5-methoxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 4587968
2-cyclohexylethanamine;6,7-diamino-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 143110174
(3R)-7-(hydroxymethyl)-2,2,9-trimethyl-3,4-dihydropyrano[2,3-g]quinolin-3-ol
CID 66608053
(3S,4R)-3-bromo-6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14561850
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 4-bromobenzoate
CID 53304384

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol?
The IUPAC name of 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol (CID 78032660) is 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol?
The canonical SMILES for 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol is CNc1cc2c(cc1OC)CC(O)C(C)(C)O2.
What is the InChIKey of 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol?
The InChIKey is KLQCJNFOMOLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2)12(15)6-8-5-11(16-4)9(14-3)7-10(8)17-13/h5,7,12,14-15H,6H2,1-4H3.
What are the key properties of 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol?
6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol has a molecular weight of 237.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-7-(methylamino)-3,4-dihydrochromen-3-ol is sourced from PubChem (CID 78032660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).