N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine

C15H12Cl2FN — CID 83077299

IUPACN-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(Cl)c(NC2CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H12Cl2FN/c16-12-7-10(18)8-13(17)15(12)19-14-6-5-9-3-1-2-4-11(9)14/h1-4,7-8,14,19H,5-6H2
InChIKeyUBLOWFMOVXPIHG-UHFFFAOYSA-N
MW296.17 g/mol
LogP5.23
Rot. Bonds2

About N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine

N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 83077299) has the molecular formula C15H12Cl2FN and a molecular weight of 296.17 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID83077299
Molecular FormulaC15H12Cl2FN
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(Cl)c(NC2CCc3ccccc32)c(Cl)c1
InChIInChI=1S/C15H12Cl2FN/c16-12-7-10(18)8-13(17)15(12)19-14-6-5-9-3-1-2-4-11(9)14/h1-4,7-8,14,19H,5-6H2
InChIKeyUBLOWFMOVXPIHG-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

5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107610126
N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107597542
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 83078753
N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 114452205
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 83077299) is N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine is Fc1cc(Cl)c(NC2CCc3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UBLOWFMOVXPIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN/c16-12-7-10(18)8-13(17)15(12)19-14-6-5-9-3-1-2-4-11(9)14/h1-4,7-8,14,19H,5-6H2.
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
N-(2,6-dichloro-4-fluorophenyl)-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-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83077299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).