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

C14H20N2 — CID 115107050

IUPAC1-[1-(2-methylpropyl)indol-2-yl]ethanamine
SMILESCC(C)Cn1c(C(C)N)cc2ccccc21
InChIInChI=1S/C14H20N2/c1-10(2)9-16-13-7-5-4-6-12(13)8-14(16)11(3)15/h4-8,10-11H,9,15H2,1-3H3
InChIKeyGLBNFWZRWRYUIQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.32
Rot. Bonds3

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

1-[1-(2-methylpropyl)indol-2-yl]ethanamine (PubChem CID 115107050) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)indol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)indol-2-yl]ethanamine
PubChem CID115107050
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-[1-(2-methylpropyl)indol-2-yl]ethanamine
SMILESCC(C)Cn1c(C(C)N)cc2ccccc21
InChIInChI=1S/C14H20N2/c1-10(2)9-16-13-7-5-4-6-12(13)8-14(16)11(3)15/h4-8,10-11H,9,15H2,1-3H3
InChIKeyGLBNFWZRWRYUIQ-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

(1R)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethanamine;hydrochloride
CID 133143576
3-amino-1-(2-methylindol-1-yl)butan-2-ol
CID 67714768
1-(1-ethyl-6-methylindol-2-yl)ethanamine
CID 117122696
(2S)-1-(2-methylindol-1-yl)propan-2-ol
CID 177480957
1-carbazol-9-ylpropan-2-amine
CID 21430322
2-amino-2-(1-methylindol-2-yl)ethanol
CID 55270563
3-(3-aminobutyl)-1-ethylquinolin-2-one
CID 116985538
di(butan-2-yl)-[(2-butan-2-ylindol-1-yl)methyl]borane
CID 101156509
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
1-iodo-2-propan-2-ylindole
CID 126585308
10-(2-methylpropyl)acridin-9-one
CID 59742563
1-(2-ethylbutyl)-2-methylindole
CID 82925203

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)indol-2-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylpropyl)indol-2-yl]ethanamine (CID 115107050) is 1-[1-(2-methylpropyl)indol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylpropyl)indol-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylpropyl)indol-2-yl]ethanamine is CC(C)Cn1c(C(C)N)cc2ccccc21.
What is the InChIKey of 1-[1-(2-methylpropyl)indol-2-yl]ethanamine?
The InChIKey is GLBNFWZRWRYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)9-16-13-7-5-4-6-12(13)8-14(16)11(3)15/h4-8,10-11H,9,15H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)indol-2-yl]ethanamine?
1-[1-(2-methylpropyl)indol-2-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-2-yl]ethanamine is sourced from PubChem (CID 115107050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).