2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine

C17H17BrFN — CID 65405510

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Br)C1CCc2ccccc21
InChIInChI=1S/C17H17BrFN/c18-16-10-13(19)7-5-12(16)9-17(20)15-8-6-11-3-1-2-4-14(11)15/h1-5,7,10,15,17H,6,8-9,20H2
InChIKeyKFAWAYNRGCAJJH-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.19
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine

2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine (PubChem CID 65405510) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
PubChem CID65405510
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Br)C1CCc2ccccc21
InChIInChI=1S/C17H17BrFN/c18-16-10-13(19)7-5-12(16)9-17(20)15-8-6-11-3-1-2-4-14(11)15/h1-5,7,10,15,17H,6,8-9,20H2
InChIKeyKFAWAYNRGCAJJH-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65410340
1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanol
CID 65410003
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-bromo-4-fluorophenyl)-N-ethylethanamine
CID 64984556
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65410661
[2-(2,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234368
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65405905
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
2-(2-bromo-4-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 80626889
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234372

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine (CID 65405510) is 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine is NC(Cc1ccc(F)cc1Br)C1CCc2ccccc21.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
The InChIKey is KFAWAYNRGCAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-16-10-13(19)7-5-12(16)9-17(20)15-8-6-11-3-1-2-4-14(11)15/h1-5,7,10,15,17H,6,8-9,20H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine?
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine has a molecular weight of 334.23 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine is sourced from PubChem (CID 65405510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).