1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol

C15H21NO3 — CID 117413072

IUPAC1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c2c(cc3c1OCCC3)OCCC2
InChIInChI=1S/C15H21NO3/c1-16-9-12(17)14-11-5-3-6-18-13(11)8-10-4-2-7-19-15(10)14/h8,12,16-17H,2-7,9H2,1H3
InChIKeyBPIHANHEFNDESH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.59
Rot. Bonds3

About 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol

1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol (PubChem CID 117413072) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol
PubChem CID117413072
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1c2c(cc3c1OCCC3)OCCC2
InChIInChI=1S/C15H21NO3/c1-16-9-12(17)14-11-5-3-6-18-13(11)8-10-4-2-7-19-15(10)14/h8,12,16-17H,2-7,9H2,1H3
InChIKeyBPIHANHEFNDESH-UHFFFAOYSA-N
XLogP1.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-N-methylethanamine
CID 115010139
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine
CID 115010138
4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 117319735
N-methyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine
CID 116986337
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanol
CID 117364300
methyl 2-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)acetate
CID 116986424
3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-methylpropanoic acid
CID 117442454
2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-thiol
CID 116986422
2-(methylamino)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetic acid
CID 116986338
2-(methylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117417579
ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate
CID 116986435
1-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)ethanol
CID 117441363

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol (CID 117413072) is 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol is CNCC(O)c1c2c(cc3c1OCCC3)OCCC2.
What is the InChIKey of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol?
The InChIKey is BPIHANHEFNDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-9-12(17)14-11-5-3-6-18-13(11)8-10-4-2-7-19-15(10)14/h8,12,16-17H,2-7,9H2,1H3.
What are the key properties of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol?
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 117413072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).