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

C18H18BrClFN — CID 118349200

IUPAC4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCN(c1ccc(Cl)c(C)c1)C1CCc2c1ccc(F)c2Br
InChIInChI=1S/C18H18BrClFN/c1-3-22(12-4-7-15(20)11(2)10-12)17-9-6-14-13(17)5-8-16(21)18(14)19/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyLSDXCWNKPYACFI-UHFFFAOYSA-N
MW382.70 g/mol
LogP6.06
Rot. Bonds3

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

4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 118349200) has the molecular formula C18H18BrClFN and a molecular weight of 382.70 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID118349200
Molecular FormulaC18H18BrClFN
Molecular Weight382.70 g/mol
Exact Mass381.03
IUPAC Name4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCN(c1ccc(Cl)c(C)c1)C1CCc2c1ccc(F)c2Br
InChIInChI=1S/C18H18BrClFN/c1-3-22(12-4-7-15(20)11(2)10-12)17-9-6-14-13(17)5-8-16(21)18(14)19/h4-5,7-8,10,17H,3,6,9H2,1-2H3
InChIKeyLSDXCWNKPYACFI-UHFFFAOYSA-N
XLogP6.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.70
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 118349200) is 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine is CCN(c1ccc(Cl)c(C)c1)C1CCc2c1ccc(F)c2Br.
What is the InChIKey of 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LSDXCWNKPYACFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClFN/c1-3-22(12-4-7-15(20)11(2)10-12)17-9-6-14-13(17)5-8-16(21)18(14)19/h4-5,7-8,10,17H,3,6,9H2,1-2H3.
What are the key properties of 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 382.70 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-3-methylphenyl)-N-ethyl-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 118349200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).