3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine

C20H23BrFN — CID 142226558

IUPAC3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)CCc2cc(Br)ccc21
InChIInChI=1S/C20H23BrFN/c1-23(2)13-3-11-20(16-4-7-18(22)8-5-16)12-10-15-14-17(21)6-9-19(15)20/h4-9,14H,3,10-13H2,1-2H3
InChIKeyAAQJDHUTADJWJH-UHFFFAOYSA-N
MW376.31 g/mol
LogP5.16
Rot. Bonds5

About 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine

3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 142226558) has the molecular formula C20H23BrFN and a molecular weight of 376.31 g/mol. Its IUPAC name is 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID142226558
Molecular FormulaC20H23BrFN
Molecular Weight376.31 g/mol
Exact Mass375.10
IUPAC Name3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)CCc2cc(Br)ccc21
InChIInChI=1S/C20H23BrFN/c1-23(2)13-3-11-20(16-4-7-18(22)8-5-16)12-10-15-14-17(21)6-9-19(15)20/h4-9,14H,3,10-13H2,1-2H3
InChIKeyAAQJDHUTADJWJH-UHFFFAOYSA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine (CID 142226558) is 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1(c2ccc(F)cc2)CCc2cc(Br)ccc21.
What is the InChIKey of 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is AAQJDHUTADJWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN/c1-23(2)13-3-11-20(16-4-7-18(22)8-5-16)12-10-15-14-17(21)6-9-19(15)20/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine?
3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 376.31 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 142226558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).