1-[1-(2-methylpropyl)indol-7-yl]ethanamine

C14H20N2 — CID 115106521

IUPAC1-[1-(2-methylpropyl)indol-7-yl]ethanamine
SMILESCC(C)Cn1ccc2cccc(C(C)N)c21
InChIInChI=1S/C14H20N2/c1-10(2)9-16-8-7-12-5-4-6-13(11(3)15)14(12)16/h4-8,10-11H,9,15H2,1-3H3
InChIKeyBQLFXDYQZIGSQM-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.32
Rot. Bonds3

About 1-[1-(2-methylpropyl)indol-7-yl]ethanamine

1-[1-(2-methylpropyl)indol-7-yl]ethanamine (PubChem CID 115106521) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)indol-7-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)indol-7-yl]ethanamine
PubChem CID115106521
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-[1-(2-methylpropyl)indol-7-yl]ethanamine
SMILESCC(C)Cn1ccc2cccc(C(C)N)c21
InChIInChI=1S/C14H20N2/c1-10(2)9-16-8-7-12-5-4-6-13(11(3)15)14(12)16/h4-8,10-11H,9,15H2,1-3H3
InChIKeyBQLFXDYQZIGSQM-UHFFFAOYSA-N
XLogP3.32
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclopropylmethyl)indol-7-yl]ethanamine
CID 115106526
(2S)-1-(7-methoxyindol-1-yl)propan-2-amine
CID 173286009
1-[1-(2-methylpropyl)indol-6-yl]ethanamine
CID 115106658
2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
CID 115106600
1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
CID 102917302
1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
CID 102917351
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
1-(1-methylindol-7-yl)ethane-1,2-diamine
CID 82404349
1-indol-1-ylpropan-2-amine
CID 20806570
3-(7-chloroindol-1-yl)-2-methylpropanenitrile
CID 83968673
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
1-(1-cyclohexylindol-7-yl)ethanol
CID 117118641

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)indol-7-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylpropyl)indol-7-yl]ethanamine (CID 115106521) is 1-[1-(2-methylpropyl)indol-7-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylpropyl)indol-7-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylpropyl)indol-7-yl]ethanamine is CC(C)Cn1ccc2cccc(C(C)N)c21.
What is the InChIKey of 1-[1-(2-methylpropyl)indol-7-yl]ethanamine?
The InChIKey is BQLFXDYQZIGSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)9-16-8-7-12-5-4-6-13(11(3)15)14(12)16/h4-8,10-11H,9,15H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)indol-7-yl]ethanamine?
1-[1-(2-methylpropyl)indol-7-yl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)indol-7-yl]ethanamine is sourced from PubChem (CID 115106521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).