2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine

C15H21NO3 — CID 117412713

IUPAC2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
SMILESCOc1c2c(c(CCN)c3c1OCCC3)OCCC2
InChIInChI=1S/C15H21NO3/c1-17-14-12-5-3-8-18-13(12)11(6-7-16)10-4-2-9-19-15(10)14/h2-9,16H2,1H3
InChIKeyRYIVBXLPPOZGQD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds3

About 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine

2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine (PubChem CID 117412713) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
PubChem CID117412713
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
SMILESCOc1c2c(c(CCN)c3c1OCCC3)OCCC2
InChIInChI=1S/C15H21NO3/c1-17-14-12-5-3-8-18-13(12)11(6-7-16)10-4-2-9-19-15(10)14/h2-9,16H2,1H3
InChIKeyRYIVBXLPPOZGQD-UHFFFAOYSA-N
XLogP1.85
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol
CID 117378871
1-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-2-one
CID 117442560
O-[2-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethyl]hydroxylamine
CID 117380937
2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine
CID 90878501
2-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanamine
CID 115010665
1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one
CID 117373298
2-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 115010668
8-(isocyanatomethyl)-4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 117369779
2-hydroxy-2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
CID 117474709
4-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)butan-2-one
CID 116986455
2-(7-chloro-6-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83893031
3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propanoic acid
CID 115010184

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine (CID 117412713) is 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine is COc1c2c(c(CCN)c3c1OCCC3)OCCC2.
What is the InChIKey of 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine?
The InChIKey is RYIVBXLPPOZGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-14-12-5-3-8-18-13(12)11(6-7-16)10-4-2-9-19-15(10)14/h2-9,16H2,1H3.
What are the key properties of 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine?
2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine has a molecular weight of 263.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine is sourced from PubChem (CID 117412713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).