5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride

C9H10BrClFN — CID 162422602

IUPAC5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.NC1CCc2c1ccc(Br)c2F
InChIInChI=1S/C9H9BrFN.ClH/c10-7-3-1-5-6(9(7)11)2-4-8(5)12;/h1,3,8H,2,4,12H2;1H
InChIKeyYEZPDQHJLCVYGM-UHFFFAOYSA-N
MW266.54 g/mol
LogP2.96
Rot. Bonds

About 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride

5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 162422602) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID162422602
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.NC1CCc2c1ccc(Br)c2F
InChIInChI=1S/C9H9BrFN.ClH/c10-7-3-1-5-6(9(7)11)2-4-8(5)12;/h1,3,8H,2,4,12H2;1H
InChIKeyYEZPDQHJLCVYGM-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
CA inhibitor, 5
CID 12192061
4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16244318
US10301253, Example 13
CID 105500039
(1R)-1-(4-bromo-2-fluorophenyl)ethan-1-amine hydrochloride
CID 16102887
6-Bromo-2,3-dihydro-1H-inden-1-amine
CID 16244315
1-(4-Bromo-2-fluorophenyl)ethan-1-amine
CID 18543576
5-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 19365907
(4-Bromo-2-methylphenyl)methanamine hydrochloride
CID 44119300
4-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 50988684
6-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 50988685
(1R)-6-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 53484708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 162422602) is 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cl.NC1CCc2c1ccc(Br)c2F.
What is the InChIKey of 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is YEZPDQHJLCVYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN.ClH/c10-7-3-1-5-6(9(7)11)2-4-8(5)12;/h1,3,8H,2,4,12H2;1H.
What are the key properties of 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 266.54 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 162422602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).