2-[5-(ethylaminomethyl)indol-1-yl]ethanol

C13H18N2O — CID 102915827

IUPAC2-[5-(ethylaminomethyl)indol-1-yl]ethanol
SMILESCCNCc1ccc2c(ccn2CCO)c1
InChIInChI=1S/C13H18N2O/c1-2-14-10-11-3-4-13-12(9-11)5-6-15(13)7-8-16/h3-6,9,14,16H,2,7-8,10H2,1H3
InChIKeyNBUKDVQOUDSJDI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.74
Rot. Bonds5

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

2-[5-(ethylaminomethyl)indol-1-yl]ethanol (PubChem CID 102915827) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[5-(ethylaminomethyl)indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(ethylaminomethyl)indol-1-yl]ethanol
PubChem CID102915827
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[5-(ethylaminomethyl)indol-1-yl]ethanol
SMILESCCNCc1ccc2c(ccn2CCO)c1
InChIInChI=1S/C13H18N2O/c1-2-14-10-11-3-4-13-12(9-11)5-6-15(13)7-8-16/h3-6,9,14,16H,2,7-8,10H2,1H3
InChIKeyNBUKDVQOUDSJDI-UHFFFAOYSA-N
XLogP1.74
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
CID 113474442
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
CID 102915930
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871

Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylaminomethyl)indol-1-yl]ethanol?
The IUPAC name of 2-[5-(ethylaminomethyl)indol-1-yl]ethanol (CID 102915827) is 2-[5-(ethylaminomethyl)indol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(ethylaminomethyl)indol-1-yl]ethanol?
The canonical SMILES for 2-[5-(ethylaminomethyl)indol-1-yl]ethanol is CCNCc1ccc2c(ccn2CCO)c1.
What is the InChIKey of 2-[5-(ethylaminomethyl)indol-1-yl]ethanol?
The InChIKey is NBUKDVQOUDSJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-14-10-11-3-4-13-12(9-11)5-6-15(13)7-8-16/h3-6,9,14,16H,2,7-8,10H2,1H3.
What are the key properties of 2-[5-(ethylaminomethyl)indol-1-yl]ethanol?
2-[5-(ethylaminomethyl)indol-1-yl]ethanol has a molecular weight of 218.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylaminomethyl)indol-1-yl]ethanol is sourced from PubChem (CID 102915827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).