2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol

C11H14BrNO — CID 130637839

IUPAC2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol
SMILESOCCNc1cc2c(cc1Br)CCC2
InChIInChI=1S/C11H14BrNO/c12-10-6-8-2-1-3-9(8)7-11(10)13-4-5-14/h6-7,13-14H,1-5H2
InChIKeyPQDKMHPOIYVRJT-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.34
Rot. Bonds3

About 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol

2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol (PubChem CID 130637839) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol
PubChem CID130637839
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol
SMILESOCCNc1cc2c(cc1Br)CCC2
InChIInChI=1S/C11H14BrNO/c12-10-6-8-2-1-3-9(8)7-11(10)13-4-5-14/h6-7,13-14H,1-5H2
InChIKeyPQDKMHPOIYVRJT-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol with MolForge

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Related Compounds

2-(2,5-dibromoanilino)ethanol
CID 61467228
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
N-(6-bromo-2,3-dihydro-1H-inden-5-yl)-3-methoxy-2-methylpropanamide
CID 119035793
2-bromo-N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]aniline
CID 63516615
2-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide
CID 175837053
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine
CID 54041165
2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 81280104
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
2-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)amino]ethanol
CID 12798330

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol?
The IUPAC name of 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol (CID 130637839) is 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol?
The canonical SMILES for 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol is OCCNc1cc2c(cc1Br)CCC2.
What is the InChIKey of 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol?
The InChIKey is PQDKMHPOIYVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-6-8-2-1-3-9(8)7-11(10)13-4-5-14/h6-7,13-14H,1-5H2.
What are the key properties of 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol?
2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol has a molecular weight of 256.14 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol is sourced from PubChem (CID 130637839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).