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

C16H14BrClFN — CID 115348970

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(Br)c(CNC2Cc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C16H14BrClFN/c17-16-4-3-14(19)6-12(16)9-20-15-7-10-1-2-13(18)5-11(10)8-15/h1-6,15,20H,7-9H2
InChIKeyFAUXOPDGDZSUEZ-UHFFFAOYSA-N
MW354.65 g/mol
LogP4.50
Rot. Bonds3

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

N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348970) has the molecular formula C16H14BrClFN and a molecular weight of 354.65 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
PubChem CID115348970
Molecular FormulaC16H14BrClFN
Molecular Weight354.65 g/mol
Exact Mass353.00
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESFc1ccc(Br)c(CNC2Cc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C16H14BrClFN/c17-16-4-3-14(19)6-12(16)9-20-15-7-10-1-2-13(18)5-11(10)8-15/h1-6,15,20H,7-9H2
InChIKeyFAUXOPDGDZSUEZ-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
(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-(3-chlorophenyl)ethanamine
CID 28649429
(1S)-N-[(5-bromo-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649431
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649733
(1S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649735
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 28738588
N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 28738599
N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 43093163

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine (CID 115348970) is N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine is Fc1ccc(Br)c(CNC2Cc3ccc(Cl)cc3C2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FAUXOPDGDZSUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN/c17-16-4-3-14(19)6-12(16)9-20-15-7-10-1-2-13(18)5-11(10)8-15/h1-6,15,20H,7-9H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine?
N-[(2-bromo-5-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-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).