1-(1-ethyl-5-methylindol-3-yl)ethanamine

C13H18N2 — CID 117120993

IUPAC1-(1-ethyl-5-methylindol-3-yl)ethanamine
SMILESCCn1cc(C(C)N)c2cc(C)ccc21
InChIInChI=1S/C13H18N2/c1-4-15-8-12(10(3)14)11-7-9(2)5-6-13(11)15/h5-8,10H,4,14H2,1-3H3
InChIKeyCALVANFUMLAKCX-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.99
Rot. Bonds2

About 1-(1-ethyl-5-methylindol-3-yl)ethanamine

1-(1-ethyl-5-methylindol-3-yl)ethanamine (PubChem CID 117120993) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylindol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-5-methylindol-3-yl)ethanamine
PubChem CID117120993
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(1-ethyl-5-methylindol-3-yl)ethanamine
SMILESCCn1cc(C(C)N)c2cc(C)ccc21
InChIInChI=1S/C13H18N2/c1-4-15-8-12(10(3)14)11-7-9(2)5-6-13(11)15/h5-8,10H,4,14H2,1-3H3
InChIKeyCALVANFUMLAKCX-UHFFFAOYSA-N
XLogP2.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
3-(5-methyl-3-propan-2-ylindol-1-yl)propan-1-amine
CID 83948737
1-(1-ethyl-6-methylindol-3-yl)-N-methylethanamine
CID 117196201
1-(1-ethyl-5-methylindol-3-yl)-N-methylpropan-2-amine
CID 117195502
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117121064
2-(1-ethyl-5-fluoroindol-3-yl)propan-1-amine
CID 117121063
(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine
CID 41063911
1-(1,5-diethylindol-3-yl)ethanol
CID 83945334
2-(1-ethylindol-3-yl)-2-(3-methylphenyl)ethanamine
CID 53213705
ethyl 2-(5-chloro-1-ethylindol-3-yl)-2-hydroxyacetate
CID 115073244
(1S)-2,2,2-trifluoro-1-[6-methyl-1-(2-methylpropyl)indol-3-yl]ethanamine
CID 166911238

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylindol-3-yl)ethanamine?
The IUPAC name of 1-(1-ethyl-5-methylindol-3-yl)ethanamine (CID 117120993) is 1-(1-ethyl-5-methylindol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-ethyl-5-methylindol-3-yl)ethanamine?
The canonical SMILES for 1-(1-ethyl-5-methylindol-3-yl)ethanamine is CCn1cc(C(C)N)c2cc(C)ccc21.
What is the InChIKey of 1-(1-ethyl-5-methylindol-3-yl)ethanamine?
The InChIKey is CALVANFUMLAKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-15-8-12(10(3)14)11-7-9(2)5-6-13(11)15/h5-8,10H,4,14H2,1-3H3.
What are the key properties of 1-(1-ethyl-5-methylindol-3-yl)ethanamine?
1-(1-ethyl-5-methylindol-3-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylindol-3-yl)ethanamine is sourced from PubChem (CID 117120993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).