(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine

C11H13FN2 — CID 55276789

IUPAC(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine
SMILESCc1c(F)ccc2cc([C@@H](C)N)[nH]c12
InChIInChI=1S/C11H13FN2/c1-6-9(12)4-3-8-5-10(7(2)13)14-11(6)8/h3-5,7,14H,13H2,1-2H3/t7-/m1/s1
InChIKeyHZKRDEGWNKTYQX-SSDOTTSWSA-N
MW192.24 g/mol
LogP2.64
Rot. Bonds1

About (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine

(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine (PubChem CID 55276789) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine
PubChem CID55276789
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine
SMILESCc1c(F)ccc2cc([C@@H](C)N)[nH]c12
InChIInChI=1S/C11H13FN2/c1-6-9(12)4-3-8-5-10(7(2)13)14-11(6)8/h3-5,7,14H,13H2,1-2H3/t7-/m1/s1
InChIKeyHZKRDEGWNKTYQX-SSDOTTSWSA-N
XLogP2.64
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine?
The IUPAC name of (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine (CID 55276789) is (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine is Cc1c(F)ccc2cc([C@@H](C)N)[nH]c12.
What is the InChIKey of (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine?
The InChIKey is HZKRDEGWNKTYQX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13FN2/c1-6-9(12)4-3-8-5-10(7(2)13)14-11(6)8/h3-5,7,14H,13H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine?
(1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine has a molecular weight of 192.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-fluoro-7-methyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 55276789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).