N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

C17H17ClFN — CID 83066315

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESC[C@H](NC1CCc2c(F)cccc21)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClFN/c1-11(12-4-2-5-13(18)10-12)20-17-9-8-14-15(17)6-3-7-16(14)19/h2-7,10-11,17,20H,8-9H2,1H3/t11-,17?/m0/s1
InChIKeyBBWOFRVGYGABIE-PIJUOJQZSA-N
MW289.78 g/mol
LogP4.82
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 83066315) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID83066315
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESC[C@H](NC1CCc2c(F)cccc21)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClFN/c1-11(12-4-2-5-13(18)10-12)20-17-9-8-14-15(17)6-3-7-16(14)19/h2-7,10-11,17,20H,8-9H2,1H3/t11-,17?/m0/s1
InChIKeyBBWOFRVGYGABIE-PIJUOJQZSA-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

4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78956202
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 166283688
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
N-[(1S)-1-(3-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81366575
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152
N-[(1S)-1-(3-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774047

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 83066315) is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is C[C@H](NC1CCc2c(F)cccc21)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BBWOFRVGYGABIE-PIJUOJQZSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11(12-4-2-5-13(18)10-12)20-17-9-8-14-15(17)6-3-7-16(14)19/h2-7,10-11,17,20H,8-9H2,1H3/t11-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-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-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83066315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).