N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

C15H12Cl2FN — CID 116531042

IUPACN-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2FN/c16-12-2-1-3-13(17)15(12)19-14-7-4-9-8-10(18)5-6-11(9)14/h1-3,5-6,8,14,19H,4,7H2
InChIKeyJDXDHJDAQOCDLX-UHFFFAOYSA-N
MW296.17 g/mol
LogP5.23
Rot. Bonds2

About N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 116531042) has the molecular formula C15H12Cl2FN and a molecular weight of 296.17 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID116531042
Molecular FormulaC15H12Cl2FN
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC NameN-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2FN/c16-12-2-1-3-13(17)15(12)19-14-7-4-9-8-10(18)5-6-11(9)14/h1-3,5-6,8,14,19H,4,7H2
InChIKeyJDXDHJDAQOCDLX-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.17
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805
2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 133371682
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531137
N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531008
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
5-fluoro-N-(4-iodophenyl)-2,3-dihydro-1H-inden-1-amine
CID 116530824
5-fluoro-N-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 115916737
5-fluoro-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 116530756

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 116531042) is N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)CCC2Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JDXDHJDAQOCDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN/c16-12-2-1-3-13(17)15(12)19-14-7-4-9-8-10(18)5-6-11(9)14/h1-3,5-6,8,14,19H,4,7H2.
What are the key properties of N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 296.17 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116531042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).