5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine

C16H14ClF2NS — CID 115348768

IUPAC5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)Sc1ccc(NC2Cc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C16H14ClF2NS/c17-12-2-1-10-8-14(9-11(10)7-12)20-13-3-5-15(6-4-13)21-16(18)19/h1-7,14,16,20H,8-9H2
InChIKeyWGCMPJOCVLNHKU-UHFFFAOYSA-N
MW325.81 g/mol
LogP5.23
Rot. Bonds4

About 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348768) has the molecular formula C16H14ClF2NS and a molecular weight of 325.81 g/mol. Its IUPAC name is 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID115348768
Molecular FormulaC16H14ClF2NS
Molecular Weight325.81 g/mol
Exact Mass325.05
IUPAC Name5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)Sc1ccc(NC2Cc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C16H14ClF2NS/c17-12-2-1-10-8-14(9-11(10)7-12)20-13-3-5-15(6-4-13)21-16(18)19/h1-7,14,16,20H,8-9H2
InChIKeyWGCMPJOCVLNHKU-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.81
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
N-(4-bromo-3-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115349085
5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348856
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-2-amine
CID 115348786
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1H-indazol-5-amine
CID 115348820
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
CID 115348892
N-(2-bromo-5-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 107632769
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
CID 170331408
5-chloro-N-(3-chloro-4-ethoxyphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348945
5-chloro-N-(5-chloro-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348580
N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiolan-3-amine
CID 79942443

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine (CID 115348768) is 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine is FC(F)Sc1ccc(NC2Cc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is WGCMPJOCVLNHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NS/c17-12-2-1-10-8-14(9-11(10)7-12)20-13-3-5-15(6-4-13)21-16(18)19/h1-7,14,16,20H,8-9H2.
What are the key properties of 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 325.81 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).