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

C17H17BrFN — CID 107850002

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(NC1Cc2ccccc2C1)c1ccc(Br)cc1F
InChIInChI=1S/C17H17BrFN/c1-11(16-7-6-14(18)10-17(16)19)20-15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,20H,8-9H2,1H3
InChIKeyKWYFOVXFLQBVPL-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.41
Rot. Bonds3

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

N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 107850002) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID107850002
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(NC1Cc2ccccc2C1)c1ccc(Br)cc1F
InChIInChI=1S/C17H17BrFN/c1-11(16-7-6-14(18)10-17(16)19)20-15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,20H,8-9H2,1H3
InChIKeyKWYFOVXFLQBVPL-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850032
N-[1-(4-bromo-2-fluorophenyl)ethyl]thiolan-3-amine
CID 102613010
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 81422839
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 102612848
N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849898
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81348211
1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
CID 82964118
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849957
N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine
CID 82964793
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 107850002) is N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is CC(NC1Cc2ccccc2C1)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KWYFOVXFLQBVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-11(16-7-6-14(18)10-17(16)19)20-15-8-12-4-2-3-5-13(12)9-15/h2-7,10-11,15,20H,8-9H2,1H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 334.23 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107850002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).