5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol

C14H20FNO — CID 107303158

IUPAC5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
SMILESOCCCCCNC1CCc2cc(F)ccc21
InChIInChI=1S/C14H20FNO/c15-12-5-6-13-11(10-12)4-7-14(13)16-8-2-1-3-9-17/h5-6,10,14,16-17H,1-4,7-9H2
InChIKeyINHWQEPVFDHYBN-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.57
Rot. Bonds6

About 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol

5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol (PubChem CID 107303158) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
PubChem CID107303158
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
SMILESOCCCCCNC1CCc2cc(F)ccc21
InChIInChI=1S/C14H20FNO/c15-12-5-6-13-11(10-12)4-7-14(13)16-8-2-1-3-9-17/h5-6,10,14,16-17H,1-4,7-9H2
InChIKeyINHWQEPVFDHYBN-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
5-fluoro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 113259796
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
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
5-fluoro-N-[2-(2-methylpropoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115713623

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol (CID 107303158) is 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol is OCCCCCNC1CCc2cc(F)ccc21.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol?
The InChIKey is INHWQEPVFDHYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-12-5-6-13-11(10-12)4-7-14(13)16-8-2-1-3-9-17/h5-6,10,14,16-17H,1-4,7-9H2.
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol?
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol is sourced from PubChem (CID 107303158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).