5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline

C17H17BrFN — CID 43555233

IUPAC5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17BrFN/c1-11(20-17-10-15(18)7-8-16(17)19)13-6-5-12-3-2-4-14(12)9-13/h5-11,20H,2-4H2,1H3
InChIKeyQWJLSONTJDGLEV-UHFFFAOYSA-N
MW334.23 g/mol
LogP5.25
Rot. Bonds3

About 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline

5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline (PubChem CID 43555233) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
PubChem CID43555233
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
SMILESCC(Nc1cc(Br)ccc1F)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17BrFN/c1-11(20-17-10-15(18)7-8-16(17)19)13-6-5-12-3-2-4-14(12)9-13/h5-11,20H,2-4H2,1H3
InChIKeyQWJLSONTJDGLEV-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.23
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-bromo-2-fluoroaniline
CID 43555373
5-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555308
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62091558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline (CID 43555233) is 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline is CC(Nc1cc(Br)ccc1F)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline?
The InChIKey is QWJLSONTJDGLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-11(20-17-10-15(18)7-8-16(17)19)13-6-5-12-3-2-4-14(12)9-13/h5-11,20H,2-4H2,1H3.
What are the key properties of 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline?
5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline has a molecular weight of 334.23 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 43555233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).