2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine

C14H21FN2S — CID 103494475

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine
SMILESCSCCCC(CN)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H21FN2S/c1-18-8-2-3-13(10-16)17-7-6-11-4-5-12(15)9-14(11)17/h4-5,9,13H,2-3,6-8,10,16H2,1H3
InChIKeyGLRADJGPFVCBPD-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.66
Rot. Bonds6

About 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine

2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine (PubChem CID 103494475) has the molecular formula C14H21FN2S and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine
PubChem CID103494475
Molecular FormulaC14H21FN2S
Molecular Weight268.40 g/mol
Exact Mass268.14
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine
SMILESCSCCCC(CN)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H21FN2S/c1-18-8-2-3-13(10-16)17-7-6-11-4-5-12(15)9-14(11)17/h4-5,9,13H,2-3,6-8,10,16H2,1H3
InChIKeyGLRADJGPFVCBPD-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
2-cyclohexyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494523
2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494492
2-(2,6-dichlorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494477
2-(6-fluoro-2,3-dihydroindol-1-yl)-2-(4-methyl-3-pyridinyl)ethanamine
CID 103494389
2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494431
2-(1,3-dimethylpyrazol-4-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494548
2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 106885883
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxybutan-1-amine
CID 103497162
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
CID 103495190

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine (CID 103494475) is 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine is CSCCCC(CN)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine?
The InChIKey is GLRADJGPFVCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2S/c1-18-8-2-3-13(10-16)17-7-6-11-4-5-12(15)9-14(11)17/h4-5,9,13H,2-3,6-8,10,16H2,1H3.
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine?
2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 103494475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).