2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol

C13H18N2O2 — CID 102915452

IUPAC2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol
SMILESNCc1ccc2c(ccn2CCOCCO)c1
InChIInChI=1S/C13H18N2O2/c14-10-11-1-2-13-12(9-11)3-4-15(13)5-7-17-8-6-16/h1-4,9,16H,5-8,10,14H2
InChIKeyVBWQCDFVOZLVDF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.11
Rot. Bonds6

About 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol

2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol (PubChem CID 102915452) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol
PubChem CID102915452
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol
SMILESNCc1ccc2c(ccn2CCOCCO)c1
InChIInChI=1S/C13H18N2O2/c14-10-11-1-2-13-12(9-11)3-4-15(13)5-7-17-8-6-16/h1-4,9,16H,5-8,10,14H2
InChIKeyVBWQCDFVOZLVDF-UHFFFAOYSA-N
XLogP1.11
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]indole-5-carbothioamide
CID 114016010
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
3-[5-(aminomethyl)indol-1-yl]-N,N-dimethylpropanamide
CID 102915506
2-[2-(6-chloroindol-1-yl)ethoxy]ethanol
CID 116620626
[1-[3-(2-methoxyethoxy)propyl]indol-5-yl]methanol
CID 103411232
5-ethyl-1-(2-methoxyethyl)indole
CID 71073272
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647
1-[2-(2-hydroxyethoxy)ethyl]indole-6-carboxylic acid
CID 63748417
2-(5-aminoindol-1-yl)ethanol
CID 43165354
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
2-[1-(3-methoxypropyl)indol-5-yl]ethanamine
CID 102917406
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol (CID 102915452) is 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol is NCc1ccc2c(ccn2CCOCCO)c1.
What is the InChIKey of 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol?
The InChIKey is VBWQCDFVOZLVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-10-11-1-2-13-12(9-11)3-4-15(13)5-7-17-8-6-16/h1-4,9,16H,5-8,10,14H2.
What are the key properties of 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol?
2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(aminomethyl)indol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 102915452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).