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

C18H19BrFN — CID 58613958

IUPAC5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(CCNC2CCc3c2ccc(Br)c3F)c1
InChIInChI=1S/C18H19BrFN/c1-12-3-2-4-13(11-12)9-10-21-17-8-6-15-14(17)5-7-16(19)18(15)20/h2-5,7,11,17,21H,6,8-10H2,1H3
InChIKeyQWUDEXYMMDGEEJ-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.72
Rot. Bonds4

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

5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 58613958) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID58613958
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(CCNC2CCc3c2ccc(Br)c3F)c1
InChIInChI=1S/C18H19BrFN/c1-12-3-2-4-13(11-12)9-10-21-17-8-6-15-14(17)5-7-16(19)18(15)20/h2-5,7,11,17,21H,6,8-10H2,1H3
InChIKeyQWUDEXYMMDGEEJ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-3-(4'-bromophenyl)-1-indanamine
CID 182582
3-(4-bromophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260295
4-[6-Bromo-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10525999
7-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 105502106
5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 131697811
5-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 162422602
4-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 162422604
1-(4-bromophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43079351
1-[2-[1-[4-bromo-3-(trifluoromethyl)phenyl]ethyl]phenyl]-N-methylethanamine
CID 12149040
(8R,9S,13S,14S,17S)-3-bromo-13-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
CID 15007455
4-[(1S,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,2-trimethylpiperazine
CID 18665048
N-[[3-bromo-5-[(3-fluorophenyl)methyl]-4-methylphenyl]methyl]cyclopropanamine
CID 58170925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 58613958) is 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1cccc(CCNC2CCc3c2ccc(Br)c3F)c1.
What is the InChIKey of 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QWUDEXYMMDGEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-12-3-2-4-13(11-12)9-10-21-17-8-6-15-14(17)5-7-16(19)18(15)20/h2-5,7,11,17,21H,6,8-10H2,1H3.
What are the key properties of 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 348.26 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N-[2-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 58613958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).