1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine

C11H12F2N2 — CID 117300028

IUPAC1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine
SMILESCC(N)Cc1c(F)cc2cc[nH]c2c1F
InChIInChI=1S/C11H12F2N2/c1-6(14)4-8-9(12)5-7-2-3-15-11(7)10(8)13/h2-3,5-6,15H,4,14H2,1H3
InChIKeyZCYPTTXUKSAQHI-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.34
Rot. Bonds2

About 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine

1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine (PubChem CID 117300028) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine
PubChem CID117300028
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine
SMILESCC(N)Cc1c(F)cc2cc[nH]c2c1F
InChIInChI=1S/C11H12F2N2/c1-6(14)4-8-9(12)5-7-2-3-15-11(7)10(8)13/h2-3,5-6,15H,4,14H2,1H3
InChIKeyZCYPTTXUKSAQHI-UHFFFAOYSA-N
XLogP2.34
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117302615
1-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117286630
1-(2,3,6-trifluorophenyl)propan-2-amine
CID 55253455
1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
CID 117320924
3-(2-aminopropyl)-8-fluoro-1H-quinolin-2-one
CID 84623506
3-amino-2-(5,7-difluoro-1H-indol-6-yl)propanoic acid
CID 117352563
5,7-difluoro-1H-indole-6-carboxylic acid
CID 117274550
1-(4-fluoro-1H-indol-5-yl)propan-2-amine
CID 117283015
ethane;7-fluoro-6-methyl-1H-indole
CID 144716067
1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
5-fluoro-1H-indol-7-amine
CID 86702437
1-(1H-indol-7-yl)ethanamine
CID 68767780

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine?
The IUPAC name of 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine (CID 117300028) is 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine.
What is the SMILES notation for 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine?
The canonical SMILES for 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine is CC(N)Cc1c(F)cc2cc[nH]c2c1F.
What is the InChIKey of 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine?
The InChIKey is ZCYPTTXUKSAQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c1-6(14)4-8-9(12)5-7-2-3-15-11(7)10(8)13/h2-3,5-6,15H,4,14H2,1H3.
What are the key properties of 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine?
1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine has a molecular weight of 210.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine is sourced from PubChem (CID 117300028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).