1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine

C12H15FN2 — CID 117194879

IUPAC1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1c[nH]c2cccc(F)c12
InChIInChI=1S/C12H15FN2/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyWZDVWKNNOFKJQB-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.46
Rot. Bonds3

About 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine

1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine (PubChem CID 117194879) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
PubChem CID117194879
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1c[nH]c2cccc(F)c12
InChIInChI=1S/C12H15FN2/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14-15H,6H2,1-2H3
InChIKeyWZDVWKNNOFKJQB-UHFFFAOYSA-N
XLogP2.46
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 139519420
1-(4-fluoro-1H-indol-3-yl)-4-methyl-2-(phosphanylamino)pentan-3-one
CID 177194442
ethane;(4-fluoro-1H-indol-3-yl)methyl-trimethylazanium
CID 143652752
1-(4-fluoro-1H-indol-3-yl)-N-methylethanamine
CID 117194873
2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;ethane
CID 145142426
(2S)-2-amino-3-(4-(18F)fluoro-1H-indol-3-yl)propanoic acid
CID 177451224
3,4-difluoro-1H-indole
CID 90939330
1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194797
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
3-(2-ethylsulfanylethyl)-4-fluoro-1H-indole
CID 167475243
(2R)-1-(6-fluoro-1H-indol-3-yl)propan-2-amine;4-fluoro-3-(2-methylpropyl)-1H-indole;5-fluoro-3-(2-methylpropyl)-1H-indole;methane;3-(2-methylpropyl)-1H-indole
CID 163636183
1-(4-chloro-1H-indol-3-yl)propan-2-amine
CID 12832

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine (CID 117194879) is 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1c[nH]c2cccc(F)c12.
What is the InChIKey of 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine?
The InChIKey is WZDVWKNNOFKJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-8(14-2)6-9-7-15-11-5-3-4-10(13)12(9)11/h3-5,7-8,14-15H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine?
1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine has a molecular weight of 206.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117194879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).