N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

C15H15ClFNS — CID 115708438

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(F)ccc21)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClFNS/c1-9(14-6-7-15(16)19-14)18-13-5-2-10-8-11(17)3-4-12(10)13/h3-4,6-9,13,18H,2,5H2,1H3
InChIKeyOAVWJHZYYCDJJF-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.88
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 115708438) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID115708438
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(F)ccc21)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClFNS/c1-9(14-6-7-15(16)19-14)18-13-5-2-10-8-11(17)3-4-12(10)13/h3-4,6-9,13,18H,2,5H2,1H3
InChIKeyOAVWJHZYYCDJJF-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43685545
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81328984
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103779432
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103905296
N-[1-(5-chlorothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230486
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 61070069
5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890485

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 115708438) is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2cc(F)ccc21)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OAVWJHZYYCDJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-9(14-6-7-15(16)19-14)18-13-5-2-10-8-11(17)3-4-12(10)13/h3-4,6-9,13,18H,2,5H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 295.81 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115708438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).