2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone

C13H16N2O — CID 82661041

IUPAC2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
SMILESCc1ccc2c(c1)c(C(=O)CN)c(C)n2C
InChIInChI=1S/C13H16N2O/c1-8-4-5-11-10(6-8)13(12(16)7-14)9(2)15(11)3/h4-6H,7,14H2,1-3H3
InChIKeyPABPCBQTBCYPPB-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.94
Rot. Bonds2

About 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone

2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone (PubChem CID 82661041) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
PubChem CID82661041
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
SMILESCc1ccc2c(c1)c(C(=O)CN)c(C)n2C
InChIInChI=1S/C13H16N2O/c1-8-4-5-11-10(6-8)13(12(16)7-14)9(2)15(11)3/h4-6H,7,14H2,1-3H3
InChIKeyPABPCBQTBCYPPB-UHFFFAOYSA-N
XLogP1.94
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[5-hydroxy-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
CID 170858004
2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
CID 935993
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
1,2,5-trimethyl-N-[(E)-4-oxopent-2-enyl]indole-3-carboxamide
CID 118667765
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]sulfanylethanone
CID 3429472
2-methyl-2-(1,2,5-trimethylindol-3-yl)propan-1-amine
CID 82495217
[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714981
1,2,5-trimethylindole-3-thiol
CID 142076478
methyl 4-(1,2,5-trimethylindol-3-yl)butanoate
CID 170946702
2-(cyclopropylamino)-1-(5-ethyl-1,2-dimethylindol-3-yl)ethanone
CID 96678992
1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone
CID 82494938
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone?
The IUPAC name of 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone (CID 82661041) is 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone is Cc1ccc2c(c1)c(C(=O)CN)c(C)n2C.
What is the InChIKey of 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone?
The InChIKey is PABPCBQTBCYPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-4-5-11-10(6-8)13(12(16)7-14)9(2)15(11)3/h4-6H,7,14H2,1-3H3.
What are the key properties of 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone?
2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone is sourced from PubChem (CID 82661041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).