1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine

C13H17FN2 — CID 83860159

IUPAC1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine
SMILESCC(N)c1cc2cccc(F)c2n1C(C)C
InChIInChI=1S/C13H17FN2/c1-8(2)16-12(9(3)15)7-10-5-4-6-11(14)13(10)16/h4-9H,15H2,1-3H3
InChIKeyMDRRZYBODSTWDH-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.38
Rot. Bonds2

About 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine

1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine (PubChem CID 83860159) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine
PubChem CID83860159
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine
SMILESCC(N)c1cc2cccc(F)c2n1C(C)C
InChIInChI=1S/C13H17FN2/c1-8(2)16-12(9(3)15)7-10-5-4-6-11(14)13(10)16/h4-9H,15H2,1-3H3
InChIKeyMDRRZYBODSTWDH-UHFFFAOYSA-N
XLogP3.38
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole
CID 117184308
1-(6-chloro-1-propan-2-ylindol-2-yl)ethanamine
CID 117122793
4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184085
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
CID 115072345
1-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]ethanol
CID 117196585
2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197186
1-(7-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268595
(1R)-1-(7-fluoro-1H-indol-2-yl)ethanamine
CID 96742272
1-[1-(2-methylpropyl)indol-2-yl]ethanamine
CID 115107050
7-bromo-2-methyl-1-propan-2-ylindole
CID 68911786
3-(2-methyl-1-propan-2-ylindol-7-yl)propan-1-amine
CID 117205192
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine?
The IUPAC name of 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine (CID 83860159) is 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine.
What is the SMILES notation for 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine?
The canonical SMILES for 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine is CC(N)c1cc2cccc(F)c2n1C(C)C.
What is the InChIKey of 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine?
The InChIKey is MDRRZYBODSTWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-8(2)16-12(9(3)15)7-10-5-4-6-11(14)13(10)16/h4-9H,15H2,1-3H3.
What are the key properties of 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine?
1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine has a molecular weight of 220.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine is sourced from PubChem (CID 83860159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).