2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine

C14H19FN2 — CID 84627852

IUPAC2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1c(C)[nH]c2c(F)cccc12
InChIInChI=1S/C14H19FN2/c1-9-12(14(2,3)8-16-4)10-6-5-7-11(15)13(10)17-9/h5-7,16-17H,8H2,1-4H3
InChIKeyCWAYWNUVRTVJCP-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.11
Rot. Bonds3

About 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine

2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine (PubChem CID 84627852) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
PubChem CID84627852
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1c(C)[nH]c2c(F)cccc12
InChIInChI=1S/C14H19FN2/c1-9-12(14(2,3)8-16-4)10-6-5-7-11(15)13(10)17-9/h5-7,16-17H,8H2,1-4H3
InChIKeyCWAYWNUVRTVJCP-UHFFFAOYSA-N
XLogP3.11
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine (CID 84627852) is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1c(C)[nH]c2c(F)cccc12.
What is the InChIKey of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is CWAYWNUVRTVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-9-12(14(2,3)8-16-4)10-6-5-7-11(15)13(10)17-9/h5-7,16-17H,8H2,1-4H3.
What are the key properties of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine?
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 234.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 84627852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).