2-(3-methyl-1H-indol-7-yl)ethanamine

C11H14N2 — CID 76846888

IUPAC2-(3-methyl-1H-indol-7-yl)ethanamine
SMILESCc1c[nH]c2c(CCN)cccc12
InChIInChI=1S/C11H14N2/c1-8-7-13-11-9(5-6-12)3-2-4-10(8)11/h2-4,7,13H,5-6,12H2,1H3
InChIKeyKMLZIFMZRXRCOJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.98
Rot. Bonds2

About 2-(3-methyl-1H-indol-7-yl)ethanamine

2-(3-methyl-1H-indol-7-yl)ethanamine (PubChem CID 76846888) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(3-methyl-1H-indol-7-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1H-indol-7-yl)ethanamine
PubChem CID76846888
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(3-methyl-1H-indol-7-yl)ethanamine
SMILESCc1c[nH]c2c(CCN)cccc12
InChIInChI=1S/C11H14N2/c1-8-7-13-11-9(5-6-12)3-2-4-10(8)11/h2-4,7,13H,5-6,12H2,1H3
InChIKeyKMLZIFMZRXRCOJ-UHFFFAOYSA-N
XLogP1.98
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1H-indol-7-yl)ethanamine?
The IUPAC name of 2-(3-methyl-1H-indol-7-yl)ethanamine (CID 76846888) is 2-(3-methyl-1H-indol-7-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-1H-indol-7-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-1H-indol-7-yl)ethanamine is Cc1c[nH]c2c(CCN)cccc12.
What is the InChIKey of 2-(3-methyl-1H-indol-7-yl)ethanamine?
The InChIKey is KMLZIFMZRXRCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-7-13-11-9(5-6-12)3-2-4-10(8)11/h2-4,7,13H,5-6,12H2,1H3.
What are the key properties of 2-(3-methyl-1H-indol-7-yl)ethanamine?
2-(3-methyl-1H-indol-7-yl)ethanamine has a molecular weight of 174.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1H-indol-7-yl)ethanamine is sourced from PubChem (CID 76846888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).