3-(fluoromethyl)-1-methylindol-6-amine

C10H11FN2 — CID 84656439

IUPAC3-(fluoromethyl)-1-methylindol-6-amine
SMILESCn1cc(CF)c2ccc(N)cc21
InChIInChI=1S/C10H11FN2/c1-13-6-7(5-11)9-3-2-8(12)4-10(9)13/h2-4,6H,5,12H2,1H3
InChIKeyPTYRWZTVBOHLGA-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.23
Rot. Bonds1

About 3-(fluoromethyl)-1-methylindol-6-amine

3-(fluoromethyl)-1-methylindol-6-amine (PubChem CID 84656439) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methylindol-6-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methylindol-6-amine
PubChem CID84656439
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name3-(fluoromethyl)-1-methylindol-6-amine
SMILESCn1cc(CF)c2ccc(N)cc21
InChIInChI=1S/C10H11FN2/c1-13-6-7(5-11)9-3-2-8(12)4-10(9)13/h2-4,6H,5,12H2,1H3
InChIKeyPTYRWZTVBOHLGA-UHFFFAOYSA-N
XLogP2.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-amino-1-methylindol-3-yl)methanethiol
CID 117178647
3-(ethylsulfanylmethyl)-1-methylindol-6-amine
CID 117178607
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine
CID 57421481
1-methyl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178398
6-amino-1-methylindole-3-carbonitrile
CID 59335124
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
CID 105485238
1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
CID 96900180
7-amino-4-ethyl-2-methylisoquinolin-1-one
CID 115063556
7-amino-1-methylquinolin-4-one
CID 10329797
6-bromo-3-ethyl-1-methylindole
CID 115042453
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methylindol-6-amine?
The IUPAC name of 3-(fluoromethyl)-1-methylindol-6-amine (CID 84656439) is 3-(fluoromethyl)-1-methylindol-6-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-methylindol-6-amine?
The canonical SMILES for 3-(fluoromethyl)-1-methylindol-6-amine is Cn1cc(CF)c2ccc(N)cc21.
What is the InChIKey of 3-(fluoromethyl)-1-methylindol-6-amine?
The InChIKey is PTYRWZTVBOHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-13-6-7(5-11)9-3-2-8(12)4-10(9)13/h2-4,6H,5,12H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-methylindol-6-amine?
3-(fluoromethyl)-1-methylindol-6-amine has a molecular weight of 178.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-methylindol-6-amine is sourced from PubChem (CID 84656439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).