5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine

C12H16FNS — CID 115706133

IUPAC5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSCCNC1CCc2cc(F)ccc21
InChIInChI=1S/C12H16FNS/c1-15-7-6-14-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14H,2,5-7H2,1H3
InChIKeyYQKOQVOVFRJLGK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.77
Rot. Bonds4

About 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115706133) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115706133
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSCCNC1CCc2cc(F)ccc21
InChIInChI=1S/C12H16FNS/c1-15-7-6-14-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14H,2,5-7H2,1H3
InChIKeyYQKOQVOVFRJLGK-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
5-chloro-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81339239
5-fluoro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 113259796
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
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
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-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113260866

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine (CID 115706133) is 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine is CSCCNC1CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YQKOQVOVFRJLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-15-7-6-14-12-5-2-9-8-10(13)3-4-11(9)12/h3-4,8,12,14H,2,5-7H2,1H3.
What are the key properties of 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115706133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).