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

C14H19NO2 — CID 115010138

IUPAC1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine
SMILESCC(N)c1c2c(cc3c1OCCC3)OCCC2
InChIInChI=1S/C14H19NO2/c1-9(15)13-11-5-3-6-16-12(11)8-10-4-2-7-17-14(10)13/h8-9H,2-7,15H2,1H3
InChIKeyJACMHQZICDGCJT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.36
Rot. Bonds1

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

1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine (PubChem CID 115010138) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine
PubChem CID115010138
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine
SMILESCC(N)c1c2c(cc3c1OCCC3)OCCC2
InChIInChI=1S/C14H19NO2/c1-9(15)13-11-5-3-6-16-12(11)8-10-4-2-7-17-14(10)13/h8-9H,2-7,15H2,1H3
InChIKeyJACMHQZICDGCJT-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-2-(methylamino)ethanol
CID 117413072
2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-thiol
CID 116986422
(1R)-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 130845713
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
CID 117464038
3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-methylpropanoic acid
CID 117442454
[3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117463577
ethyl 2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-carboxylate
CID 116986435
methyl 2-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)acetate
CID 116986424
8-fluoro-6-propan-2-yl-3,4-dihydro-2H-chromene
CID 89290968
N-methyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine
CID 116986337
2-(methylamino)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetic acid
CID 116986338

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine?
The IUPAC name of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine (CID 115010138) is 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine.
What is the SMILES notation for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine?
The canonical SMILES for 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine is CC(N)c1c2c(cc3c1OCCC3)OCCC2.
What is the InChIKey of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine?
The InChIKey is JACMHQZICDGCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(15)13-11-5-3-6-16-12(11)8-10-4-2-7-17-14(10)13/h8-9H,2-7,15H2,1H3.
What are the key properties of 1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine?
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 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)ethanamine is sourced from PubChem (CID 115010138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).