2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid

C15H22N2O2 — CID 166467492

IUPAC2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
SMILESCCn1cc(CCN(C)C)c2ccccc21.O=CO
InChIInChI=1S/C14H20N2.CH2O2/c1-4-16-11-12(9-10-15(2)3)13-7-5-6-8-14(13)16;2-1-3/h5-8,11H,4,9-10H2,1-3H3;1H,(H,2,3)
InChIKeyXYIHVFQSFQYOHI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.47
Rot. Bonds4

About 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid

2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid (PubChem CID 166467492) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
PubChem CID166467492
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
SMILESCCn1cc(CCN(C)C)c2ccccc21.O=CO
InChIInChI=1S/C14H20N2.CH2O2/c1-4-16-11-12(9-10-15(2)3)13-7-5-6-8-14(13)16;2-1-3/h5-8,11H,4,9-10H2,1-3H3;1H,(H,2,3)
InChIKeyXYIHVFQSFQYOHI-UHFFFAOYSA-N
XLogP2.47
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
2-[3-[3-(dimethylamino)propyl]indol-1-yl]ethanol
CID 170866980
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
2-(1-ethylindol-3-yl)ethyl-diphenylphosphane
CID 101444467
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
N-[3-[2-(dimethylamino)ethyl]-1-ethylindol-5-yl]ethanesulfonamide
CID 67739874
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid?
The IUPAC name of 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid (CID 166467492) is 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid?
The canonical SMILES for 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid is CCn1cc(CCN(C)C)c2ccccc21.O=CO.
What is the InChIKey of 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid?
The InChIKey is XYIHVFQSFQYOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.CH2O2/c1-4-16-11-12(9-10-15(2)3)13-7-5-6-8-14(13)16;2-1-3/h5-8,11H,4,9-10H2,1-3H3;1H,(H,2,3).
What are the key properties of 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid?
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid has a molecular weight of 262.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid is sourced from PubChem (CID 166467492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).