(1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol

C15H16BrNO2 — CID 97110413

IUPAC(1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol
SMILESO[C@H](CN[C@@H]1CCc2c(Br)cccc21)c1ccco1
InChIInChI=1S/C15H16BrNO2/c16-12-4-1-3-11-10(12)6-7-13(11)17-9-14(18)15-5-2-8-19-15/h1-5,8,13-14,17-18H,6-7,9H2/t13-,14-/m1/s1
InChIKeyKTPOAYVGIVDAGN-ZIAGYGMSSA-N
MW322.20 g/mol
LogP3.35
Rot. Bonds4

About (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol

(1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol (PubChem CID 97110413) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol
PubChem CID97110413
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol
SMILESO[C@H](CN[C@@H]1CCc2c(Br)cccc21)c1ccco1
InChIInChI=1S/C15H16BrNO2/c16-12-4-1-3-11-10(12)6-7-13(11)17-9-14(18)15-5-2-8-19-15/h1-5,8,13-14,17-18H,6-7,9H2/t13-,14-/m1/s1
InChIKeyKTPOAYVGIVDAGN-ZIAGYGMSSA-N
XLogP3.35
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol with MolForge

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Related Compounds

2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-(furan-2-yl)ethanol
CID 75471523
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110904109
(1R)-2-[[(5S)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]-1-(furan-2-yl)ethanol
CID 99777272
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846495
2-[(2,2-dimethylcyclopropyl)amino]-1-(furan-2-yl)ethanol
CID 61223910
1-(furan-2-yl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910521
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2,3-dihydro-1H-inden-1-amine
CID 103648457

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol?
The IUPAC name of (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol (CID 97110413) is (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol is O[C@H](CN[C@@H]1CCc2c(Br)cccc21)c1ccco1.
What is the InChIKey of (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol?
The InChIKey is KTPOAYVGIVDAGN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-12-4-1-3-11-10(12)6-7-13(11)17-9-14(18)15-5-2-8-19-15/h1-5,8,13-14,17-18H,6-7,9H2/t13-,14-/m1/s1.
What are the key properties of (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol?
(1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97110413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).