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

C14H18BrNO2 — CID 10244981

IUPAC2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
SMILESNCCc1c2c(c(Br)c3c1OCCC3)OCCC2
InChIInChI=1S/C14H18BrNO2/c15-12-11-4-2-7-17-13(11)10(5-6-16)9-3-1-8-18-14(9)12/h1-8,16H2
InChIKeyPAFZDNLBBBZEKE-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.60
Rot. Bonds2

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

2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine (PubChem CID 10244981) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
PubChem CID10244981
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine
SMILESNCCc1c2c(c(Br)c3c1OCCC3)OCCC2
InChIInChI=1S/C14H18BrNO2/c15-12-11-4-2-7-17-13(11)10(5-6-16)9-3-1-8-18-14(9)12/h1-8,16H2
InChIKeyPAFZDNLBBBZEKE-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2C-B-Fly
CID 10265873
3C-B-Fly
CID 10017554
(2R)-1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine
CID 10568771
(2R)-1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride
CID 49795903
2-(10-Bromo-2,3,4,7,8,9-hexahydro-pyrano[2,3-g]chromen-5-yl)-1-methyl-ethylamine
CID 10336477
1-(4-Bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine
CID 25022622
1-(9-Bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)propan-2-amine
CID 25022623
2-(4-Bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)ethanamine
CID 44586222
2-(9-Bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)ethanamine
CID 44586223
(2S)-1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride
CID 49795906
3c-b-Fly hydrochloride
CID 75295898
5-Bromo-6-methoxy-2,2,7,8-tetramethyl-3,4-dihydrochromene
CID 135018548

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine (CID 10244981) is 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine is NCCc1c2c(c(Br)c3c1OCCC3)OCCC2.
What is the InChIKey of 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine?
The InChIKey is PAFZDNLBBBZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-11-4-2-7-17-13(11)10(5-6-16)9-3-1-8-18-14(9)12/h1-8,16H2.
What are the key properties of 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine?
2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine has a molecular weight of 312.21 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)ethanamine is sourced from PubChem (CID 10244981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).