5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine

C15H11Cl2F2N — CID 83081805

IUPAC5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(F)c(NC2CCc3cc(Cl)ccc32)c(Cl)c1
InChIInChI=1S/C15H11Cl2F2N/c16-9-2-3-11-8(5-9)1-4-14(11)20-15-12(17)6-10(18)7-13(15)19/h2-3,5-7,14,20H,1,4H2
InChIKeyDZFUMKPUDYEMGP-UHFFFAOYSA-N
MW314.16 g/mol
LogP5.37
Rot. Bonds2

About 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine

5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 83081805) has the molecular formula C15H11Cl2F2N and a molecular weight of 314.16 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID83081805
Molecular FormulaC15H11Cl2F2N
Molecular Weight314.16 g/mol
Exact Mass313.02
IUPAC Name5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(F)c(NC2CCc3cc(Cl)ccc32)c(Cl)c1
InChIInChI=1S/C15H11Cl2F2N/c16-9-2-3-11-8(5-9)1-4-14(11)20-15-12(17)6-10(18)7-13(15)19/h2-3,5-7,14,20H,1,4H2
InChIKeyDZFUMKPUDYEMGP-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.16
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
5-chloro-N-(3-chloro-5-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107363987
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 133371686
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051
2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 133371682
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107610126
N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531008
N-(2,5-dichloro-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 83081805) is 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine is Fc1cc(F)c(NC2CCc3cc(Cl)ccc32)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DZFUMKPUDYEMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F2N/c16-9-2-3-11-8(5-9)1-4-14(11)20-15-12(17)6-10(18)7-13(15)19/h2-3,5-7,14,20H,1,4H2.
What are the key properties of 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 314.16 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83081805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).