3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine

C13H17FN2 — CID 68758392

IUPAC3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C13H17FN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyAJGOCYBERFBFTB-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.85
Rot. Bonds4

About 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine

3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine (PubChem CID 68758392) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine
PubChem CID68758392
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C13H17FN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyAJGOCYBERFBFTB-UHFFFAOYSA-N
XLogP2.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine
CID 67230623
N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231967
N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 68609050
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-7H-indole
CID 68757208
4-(5-fluoro-7H-indol-3-yl)butan-1-amine
CID 68758269
N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 21393596
CID 176569403
CID 176569403
2-(1-Decyl-4-pyridinylidene)benzimidazole
CID 14867065
2-[2-(1-Decyl-4-pyridinylidene)ethylidene]-5,6-dimethylbenzimidazole
CID 14922173
N,N-dimethyl-2,6,7,8-tetrahydro-1H-carbazol-3-amine
CID 21393597
3-(10,11-dihydro-1H-benzo[d][2]benzazepin-5-yl)-N,N-dimethylpropan-1-amine
CID 101967608
CID 176569404
CID 176569404

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine (CID 68758392) is 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCC1=CN=C2CC=C(F)C=C12.
What is the InChIKey of 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is AJGOCYBERFBFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-16(2)7-3-4-10-9-15-13-6-5-11(14)8-12(10)13/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine?
3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-7H-indol-3-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 68758392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).