2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine

C17H26N2O2 — CID 106455254

IUPAC2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
SMILESCCCOCCn1ccc2c(CNCCOC)cccc21
InChIInChI=1S/C17H26N2O2/c1-3-11-21-13-10-19-9-7-16-15(5-4-6-17(16)19)14-18-8-12-20-2/h4-7,9,18H,3,8,10-14H2,1-2H3
InChIKeyDMQHYQLLVXZTND-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.80
Rot. Bonds10

About 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine (PubChem CID 106455254) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
PubChem CID106455254
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
SMILESCCCOCCn1ccc2c(CNCCOC)cccc21
InChIInChI=1S/C17H26N2O2/c1-3-11-21-13-10-19-9-7-16-15(5-4-6-17(16)19)14-18-8-12-20-2/h4-7,9,18H,3,8,10-14H2,1-2H3
InChIKeyDMQHYQLLVXZTND-UHFFFAOYSA-N
XLogP2.80
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(methoxymethyl)indol-4-yl]methyl]ethanamine
CID 65364901
4-chloro-1-(2-propoxyethyl)indole
CID 106458079
4-propoxy-1-(2-propoxyethyl)indole
CID 106458022
2-(4-fluoroindol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 82792809
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757
2-methoxy-N-[[1-(2-propoxyethyl)indazol-3-yl]methyl]ethanamine
CID 106458306
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
CID 104562950
1-(2-propoxyethyl)indole-4-carboxylic acid
CID 106453856
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
CID 106455248
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine (CID 106455254) is 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine is CCCOCCn1ccc2c(CNCCOC)cccc21.
What is the InChIKey of 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine?
The InChIKey is DMQHYQLLVXZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-21-13-10-19-9-7-16-15(5-4-6-17(16)19)14-18-8-12-20-2/h4-7,9,18H,3,8,10-14H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106455254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).