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

C16H14BrClFN — CID 115348977

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(Br)cc1CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C16H14BrClFN/c17-13-2-4-16(19)12(5-13)9-20-15-7-10-1-3-14(18)6-11(10)8-15/h1-6,15,20H,7-9H2
InChIKeyKQUHUVYVHPIEFH-UHFFFAOYSA-N
MW354.65 g/mol
LogP4.50
Rot. Bonds3

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

N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348977) 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-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
PubChem CID115348977
Molecular FormulaC16H14BrClFN
Molecular Weight354.65 g/mol
Exact Mass353.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(Br)cc1CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C16H14BrClFN/c17-13-2-4-16(19)12(5-13)9-20-15-7-10-1-3-14(18)6-11(10)8-15/h1-6,15,20H,7-9H2
InChIKeyKQUHUVYVHPIEFH-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 54.50
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
(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
(1S)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649071
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649353

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine (CID 115348977) is N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine is Fc1ccc(Br)cc1CNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KQUHUVYVHPIEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN/c17-13-2-4-16(19)12(5-13)9-20-15-7-10-1-3-14(18)6-11(10)8-15/h1-6,15,20H,7-9H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 354.65 g/mol, XLogP of 4.50, 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-2-amine is sourced from PubChem (CID 115348977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).