(2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol

C11H14BrNO — CID 131215495

IUPAC(2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
SMILESN[C@H](CO)c1ccc(Br)c2c1CCC2
InChIInChI=1S/C11H14BrNO/c12-10-5-4-9(11(13)6-14)7-2-1-3-8(7)10/h4-5,11,14H,1-3,6,13H2/t11-/m1/s1
InChIKeyVHSVVBMXVADITM-LLVKDONJSA-N
MW256.14 g/mol
LogP1.93
Rot. Bonds2

About (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol

(2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol (PubChem CID 131215495) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
PubChem CID131215495
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol
SMILESN[C@H](CO)c1ccc(Br)c2c1CCC2
InChIInChI=1S/C11H14BrNO/c12-10-5-4-9(11(13)6-14)7-2-1-3-8(7)10/h4-5,11,14H,1-3,6,13H2/t11-/m1/s1
InChIKeyVHSVVBMXVADITM-LLVKDONJSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-amino-2-hydroxyethyl)-6-bromobenzene-1,2-diol
CID 117372646
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CID 66515055
(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol
CID 131142085
7-[(1S)-1-amino-2-hydroxyethyl]-2,3-dihydro-1H-inden-5-ol
CID 130663084
3-[(1S)-1-amino-2-hydroxyethyl]-4-bromophenol;hydrochloride
CID 171203542
(1R)-1-(7-methyl-2,3-dihydro-1H-inden-4-yl)propan-1-amine
CID 130655075
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
(2S)-2-amino-2-(2-bromo-5-chlorophenyl)ethanol;hydrochloride
CID 171203752
(2S)-2-amino-2-(2-bromo-4-fluorophenyl)ethanol;hydrochloride
CID 171201244
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
CID 66514395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol (CID 131215495) is (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol is N[C@H](CO)c1ccc(Br)c2c1CCC2.
What is the InChIKey of (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol?
The InChIKey is VHSVVBMXVADITM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-5-4-9(11(13)6-14)7-2-1-3-8(7)10/h4-5,11,14H,1-3,6,13H2/t11-/m1/s1.
What are the key properties of (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol?
(2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol has a molecular weight of 256.14 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(7-bromo-2,3-dihydro-1H-inden-4-yl)ethanol is sourced from PubChem (CID 131215495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).