(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine

C11H14N2 — CID 82759015

IUPAC(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2c([C@H](C)N)c[nH]c2c1
InChIInChI=1S/C11H14N2/c1-7-3-4-9-10(8(2)12)6-13-11(9)5-7/h3-6,8,13H,12H2,1-2H3/t8-/m0/s1
InChIKeySFJTVDGPJHKWEU-QMMMGPOBSA-N
MW174.25 g/mol
LogP2.50
Rot. Bonds1

About (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine

(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine (PubChem CID 82759015) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
PubChem CID82759015
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2c([C@H](C)N)c[nH]c2c1
InChIInChI=1S/C11H14N2/c1-7-3-4-9-10(8(2)12)6-13-11(9)5-7/h3-6,8,13H,12H2,1-2H3/t8-/m0/s1
InChIKeySFJTVDGPJHKWEU-QMMMGPOBSA-N
XLogP2.50
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine (CID 82759015) is (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine is Cc1ccc2c([C@H](C)N)c[nH]c2c1.
What is the InChIKey of (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is SFJTVDGPJHKWEU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2/c1-7-3-4-9-10(8(2)12)6-13-11(9)5-7/h3-6,8,13H,12H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine?
(1S)-1-(6-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 174.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82759015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).