2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol

C16H24N2O2 — CID 102914261

IUPAC2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
SMILESCCCNCc1cccc2ccn(CCOCCO)c12
InChIInChI=1S/C16H24N2O2/c1-2-7-17-13-15-5-3-4-14-6-8-18(16(14)15)9-11-20-12-10-19/h3-6,8,17,19H,2,7,9-13H2,1H3
InChIKeyWMZVBUDTIFPVPQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds9

About 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol

2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol (PubChem CID 102914261) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
PubChem CID102914261
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
SMILESCCCNCc1cccc2ccn(CCOCCO)c12
InChIInChI=1S/C16H24N2O2/c1-2-7-17-13-15-5-3-4-14-6-8-18(16(14)15)9-11-20-12-10-19/h3-6,8,17,19H,2,7,9-13H2,1H3
InChIKeyWMZVBUDTIFPVPQ-UHFFFAOYSA-N
XLogP2.15
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
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

N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
2-[2-(7-chloroindol-1-yl)ethoxy]ethanol
CID 103474789
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol (CID 102914261) is 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol is CCCNCc1cccc2ccn(CCOCCO)c12.
What is the InChIKey of 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol?
The InChIKey is WMZVBUDTIFPVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-7-17-13-15-5-3-4-14-6-8-18(16(14)15)9-11-20-12-10-19/h3-6,8,17,19H,2,7,9-13H2,1H3.
What are the key properties of 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol?
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol has a molecular weight of 276.38 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 102914261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).