3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine

C13H17FN2 — CID 83859686

IUPAC3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
SMILESCc1c(CC(C)CN)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-8(7-15)5-13-9(2)11-6-10(14)3-4-12(11)16-13/h3-4,6,8,16H,5,7,15H2,1-2H3
InChIKeyPUDIJBCYZHZPOI-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.75
Rot. Bonds3

About 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine

3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine (PubChem CID 83859686) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
PubChem CID83859686
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
SMILESCc1c(CC(C)CN)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-8(7-15)5-13-9(2)11-6-10(14)3-4-12(11)16-13/h3-4,6,8,16H,5,7,15H2,1-2H3
InChIKeyPUDIJBCYZHZPOI-UHFFFAOYSA-N
XLogP2.75
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 83859681
2-(2-azidopropyl)-5-fluoro-3-methyl-1H-indole
CID 150403505
5-fluoro-3-methyl-2-propyl-1H-indole
CID 72942274
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
3-(7-chloro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83868277
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
[5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine
CID 82385831
ethane;1-(5-fluoro-3-methyl-1H-indol-2-yl)-3-methylbutan-1-one
CID 162435430
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 46967079
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine (CID 83859686) is 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine is Cc1c(CC(C)CN)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine?
The InChIKey is PUDIJBCYZHZPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-8(7-15)5-13-9(2)11-6-10(14)3-4-12(11)16-13/h3-4,6,8,16H,5,7,15H2,1-2H3.
What are the key properties of 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine?
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83859686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).