N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine

C15H22N2O — CID 102914380

IUPACN-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
SMILESCCCNCc1cccc2ccn(COCC)c12
InChIInChI=1S/C15H22N2O/c1-3-9-16-11-14-7-5-6-13-8-10-17(15(13)14)12-18-4-2/h5-8,10,16H,3-4,9,11-12H2,1-2H3
InChIKeyOTDLWLFLDGBEBX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.13
Rot. Bonds7

About N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine

N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine (PubChem CID 102914380) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
PubChem CID102914380
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
SMILESCCCNCc1cccc2ccn(COCC)c12
InChIInChI=1S/C15H22N2O/c1-3-9-16-11-14-7-5-6-13-8-10-17(15(13)14)12-18-4-2/h5-8,10,16H,3-4,9,11-12H2,1-2H3
InChIKeyOTDLWLFLDGBEBX-UHFFFAOYSA-N
XLogP3.13
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
7-chloro-1-(ethoxymethyl)indole
CID 103474866
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine (CID 102914380) is N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine is CCCNCc1cccc2ccn(COCC)c12.
What is the InChIKey of N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine?
The InChIKey is OTDLWLFLDGBEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-9-16-11-14-7-5-6-13-8-10-17(15(13)14)12-18-4-2/h5-8,10,16H,3-4,9,11-12H2,1-2H3.
What are the key properties of N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine?
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine is sourced from PubChem (CID 102914380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).