1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine

C14H18BrNO2 — CID 25022622

IUPAC1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine
SMILESCC(N)Cc1c2c(c(Br)c3c1OCC3)OCCC2
InChIInChI=1S/C14H18BrNO2/c1-8(16)7-11-9-3-2-5-17-14(9)12(15)10-4-6-18-13(10)11/h8H,2-7,16H2,1H3
InChIKeyWYFSZAHECAHNFL-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.60
Rot. Bonds2

About 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine

1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine (PubChem CID 25022622) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine
PubChem CID25022622
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine
SMILESCC(N)Cc1c2c(c(Br)c3c1OCC3)OCCC2
InChIInChI=1S/C14H18BrNO2/c1-8(16)7-11-9-3-2-5-17-14(9)12(15)10-4-6-18-13(10)11/h8H,2-7,16H2,1H3
InChIKeyWYFSZAHECAHNFL-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

Analyze 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine with MolForge

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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
(1R,2R)-2-amino-1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-1-ol
CID 44431705
(2R)-1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine;hydrochloride
CID 49795903
2C-B-Butterfly
CID 10244981
1-(7-Bromo-5-methoxy-2,3-dihydro-1-benzofuran-4-yl)propan-2-amine
CID 10891445
8-Bromo-6-methoxy-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-4-ylamine
CID 10085260
2-(10-Bromo-2,3,4,7,8,9-hexahydro-pyrano[2,3-g]chromen-5-yl)-1-methyl-ethylamine
CID 10336477
[(4R,7R)-11-bromo-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-yl]methanamine
CID 10990161
[(4S,7R)-11-bromo-9-methoxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-7-yl]methanamine
CID 11066440
1-(9-Bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-4-yl)propan-2-amine
CID 25022623

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine?
The IUPAC name of 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine (CID 25022622) is 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine is CC(N)Cc1c2c(c(Br)c3c1OCC3)OCCC2.
What is the InChIKey of 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine?
The InChIKey is WYFSZAHECAHNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-8(16)7-11-9-3-2-5-17-14(9)12(15)10-4-6-18-13(10)11/h8H,2-7,16H2,1H3.
What are the key properties of 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine?
1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine 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 1-(4-bromo-3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-9-yl)propan-2-amine is sourced from PubChem (CID 25022622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).