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

C16H14BrClFN — CID 78978124

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Br)cc1CNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H14BrClFN/c17-12-2-5-15(19)11(7-12)9-20-16-6-1-10-8-13(18)3-4-14(10)16/h2-5,7-8,16,20H,1,6,9H2
InChIKeyDUEPTNYHKGVISU-UHFFFAOYSA-N
MW354.65 g/mol
LogP5.02
Rot. Bonds3

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

N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine (PubChem CID 78978124) has the molecular formula C16H14BrClFN and a molecular weight of 354.65 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine
PubChem CID78978124
Molecular FormulaC16H14BrClFN
Molecular Weight354.65 g/mol
Exact Mass353.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Br)cc1CNC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H14BrClFN/c17-12-2-5-15(19)11(7-12)9-20-16-6-1-10-8-13(18)3-4-14(10)16/h2-5,7-8,16,20H,1,6,9H2
InChIKeyDUEPTNYHKGVISU-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)piperidin-4-amine
CID 166634331
5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61520517
5-bromo-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 176624219
(R)-N-(3-bromobenzyl)-1-(4-chlorophenyl)ethan-1-amine
CID 28645148
(1'S,2R)-N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)spiro[1,2-dihydroindene-3,2'-cyclohexane]-1'-amine
CID 134957803
3-(3-chloro-4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 13543820
(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 13543822
(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645128
(1S)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645130
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645431
(1S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645433
(1R)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649069

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine (CID 78978124) is N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine is Fc1ccc(Br)cc1CNC1CCc2cc(Cl)ccc21.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DUEPTNYHKGVISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN/c17-12-2-5-15(19)11(7-12)9-20-16-6-1-10-8-13(18)3-4-14(10)16/h2-5,7-8,16,20H,1,6,9H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 354.65 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78978124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).