3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol

C14H20N2O — CID 102915831

IUPAC3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
SMILESCCNCc1ccc2c(ccn2CCCO)c1
InChIInChI=1S/C14H20N2O/c1-2-15-11-12-4-5-14-13(10-12)6-8-16(14)7-3-9-17/h4-6,8,10,15,17H,2-3,7,9,11H2,1H3
InChIKeyNJPGZGPOVSRBIC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.13
Rot. Bonds6

About 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol

3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol (PubChem CID 102915831) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
PubChem CID102915831
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
SMILESCCNCc1ccc2c(ccn2CCCO)c1
InChIInChI=1S/C14H20N2O/c1-2-15-11-12-4-5-14-13(10-12)6-8-16(14)7-3-9-17/h4-6,8,10,15,17H,2-3,7,9,11H2,1H3
InChIKeyNJPGZGPOVSRBIC-UHFFFAOYSA-N
XLogP2.13
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
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
(1-butylindol-5-yl)methanol
CID 102912394
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
1-[1-(3-ethoxypropyl)indol-5-yl]-N-methylmethanamine
CID 65178006

Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol (CID 102915831) is 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol is CCNCc1ccc2c(ccn2CCCO)c1.
What is the InChIKey of 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol?
The InChIKey is NJPGZGPOVSRBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-15-11-12-4-5-14-13(10-12)6-8-16(14)7-3-9-17/h4-6,8,10,15,17H,2-3,7,9,11H2,1H3.
What are the key properties of 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol?
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol is sourced from PubChem (CID 102915831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).