5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C17H17BrFN — CID 61070069

IUPAC5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(Br)ccc21)c1ccc(F)cc1
InChIInChI=1S/C17H17BrFN/c1-11(12-2-6-15(19)7-3-12)20-17-9-4-13-10-14(18)5-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9H2,1H3
InChIKeyWUJLMIAXIMIFEG-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.93
Rot. Bonds3

About 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 61070069) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID61070069
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(Br)ccc21)c1ccc(F)cc1
InChIInChI=1S/C17H17BrFN/c1-11(12-2-6-15(19)7-3-12)20-17-9-4-13-10-14(18)5-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9H2,1H3
InChIKeyWUJLMIAXIMIFEG-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81369563
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103905296
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 63455836
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
2-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61070816
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43204034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 61070069) is 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2cc(Br)ccc21)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WUJLMIAXIMIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-11(12-2-6-15(19)7-3-12)20-17-9-4-13-10-14(18)5-8-16(13)17/h2-3,5-8,10-11,17,20H,4,9H2,1H3.
What are the key properties of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 334.23 g/mol, XLogP of 4.93, 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-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 61070069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).