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

C17H17ClFN — CID 104889840

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2cc(F)ccc21)c1ccccc1Cl
InChIInChI=1S/C17H17ClFN/c1-11(14-4-2-3-5-16(14)18)20-17-9-6-12-10-13(19)7-8-15(12)17/h2-5,7-8,10-11,17,20H,6,9H2,1H3/t11-,17?/m1/s1
InChIKeyYCPBAMTVVJYVTE-VCQTYVLVSA-N
MW289.78 g/mol
LogP4.82
Rot. Bonds3

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

N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 104889840) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID104889840
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2cc(F)ccc21)c1ccccc1Cl
InChIInChI=1S/C17H17ClFN/c1-11(14-4-2-3-5-16(14)18)20-17-9-6-12-10-13(19)7-8-15(12)17/h2-5,7-8,10-11,17,20H,6,9H2,1H3/t11-,17?/m1/s1
InChIKeyYCPBAMTVVJYVTE-VCQTYVLVSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956089
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708438
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
1-[2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]phenyl]ethanol
CID 116530980
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103905296
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774056
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418524

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 104889840) is N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is C[C@@H](NC1CCc2cc(F)ccc21)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YCPBAMTVVJYVTE-VCQTYVLVSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11(14-4-2-3-5-16(14)18)20-17-9-6-12-10-13(19)7-8-15(12)17/h2-5,7-8,10-11,17,20H,6,9H2,1H3/t11-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 289.78 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104889840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).