5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine

C17H26FN — CID 116531093

IUPAC5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCCCCCCNC1CCc2cc(F)ccc21
InChIInChI=1S/C17H26FN/c1-2-3-4-5-6-7-12-19-17-11-8-14-13-15(18)9-10-16(14)17/h9-10,13,17,19H,2-8,11-12H2,1H3
InChIKeyYHTVWSFIZFPPHF-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.76
Rot. Bonds8

About 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 116531093) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
PubChem CID116531093
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCCCCCCNC1CCc2cc(F)ccc21
InChIInChI=1S/C17H26FN/c1-2-3-4-5-6-7-12-19-17-11-8-14-13-15(18)9-10-16(14)17/h9-10,13,17,19H,2-8,11-12H2,1H3
InChIKeyYHTVWSFIZFPPHF-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
5-fluoro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 113259796
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
5-fluoro-N-[2-(2-methylpropoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115713623
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
5-fluoro-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115888863
2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
CID 103904666
N-[2-(2,2-difluoroethoxy)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103082723
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine (CID 116531093) is 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine is CCCCCCCCNC1CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YHTVWSFIZFPPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-2-3-4-5-6-7-12-19-17-11-8-14-13-15(18)9-10-16(14)17/h9-10,13,17,19H,2-8,11-12H2,1H3.
What are the key properties of 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116531093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).