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

C18H19ClFN — CID 115667957

IUPACN-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCC(NC1CCc2cc(F)ccc21)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClFN/c1-2-17(13-4-3-5-14(19)10-13)21-18-9-6-12-11-15(20)7-8-16(12)18/h3-5,7-8,10-11,17-18,21H,2,6,9H2,1H3
InChIKeyOEXZFERTOCYHLG-UHFFFAOYSA-N
MW303.81 g/mol
LogP5.21
Rot. Bonds4

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

N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 115667957) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID115667957
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCC(NC1CCc2cc(F)ccc21)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClFN/c1-2-17(13-4-3-5-14(19)10-13)21-18-9-6-12-11-15(20)7-8-16(12)18/h3-5,7-8,10-11,17-18,21H,2,6,9H2,1H3
InChIKeyOEXZFERTOCYHLG-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115725424
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 103935768
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998685

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 115667957) is N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is CCC(NC1CCc2cc(F)ccc21)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OEXZFERTOCYHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-2-17(13-4-3-5-14(19)10-13)21-18-9-6-12-11-15(20)7-8-16(12)18/h3-5,7-8,10-11,17-18,21H,2,6,9H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 303.81 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115667957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).