[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine

C16H24N2O3 — CID 104567532

IUPAC[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine
SMILESCOCCOCCOCCn1c(CN)cc2ccccc21
InChIInChI=1S/C16H24N2O3/c1-19-8-9-21-11-10-20-7-6-18-15(13-17)12-14-4-2-3-5-16(14)18/h2-5,12H,6-11,13,17H2,1H3
InChIKeyIPNLVRBAWDAFTI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.78
Rot. Bonds10

About [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine

[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine (PubChem CID 104567532) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine
PubChem CID104567532
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine
SMILESCOCCOCCOCCn1c(CN)cc2ccccc21
InChIInChI=1S/C16H24N2O3/c1-19-8-9-21-11-10-20-7-6-18-15(13-17)12-14-4-2-3-5-16(14)18/h2-5,12H,6-11,13,17H2,1H3
InChIKeyIPNLVRBAWDAFTI-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-methoxybutyl)indol-2-yl]methyl]propan-2-amine
CID 104649908
2-methyl-N-[[1-(2-propoxyethyl)indol-2-yl]methyl]propan-2-amine
CID 106458265
3-(aminomethyl)-1-(2-butoxyethyl)quinolin-2-one
CID 63019050
[1-[2-(trifluoromethylsulfanyl)ethyl]indol-2-yl]methanamine
CID 116627096
ethane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;naphthalene
CID 123844641
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
CID 146535745
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2947583
N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine
CID 62563888
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]indol-2-yl]methanamine
CID 64799410
1-(2-fluoroethyl)-2-methoxyindole
CID 174861451
2-(2-ethoxyethyl)-1-ethylindole
CID 46738621
1-nonyl-2-propylindole
CID 19869956

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine?
The IUPAC name of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine (CID 104567532) is [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine.
What is the SMILES notation for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine?
The canonical SMILES for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine is COCCOCCOCCn1c(CN)cc2ccccc21.
What is the InChIKey of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine?
The InChIKey is IPNLVRBAWDAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-19-8-9-21-11-10-20-7-6-18-15(13-17)12-14-4-2-3-5-16(14)18/h2-5,12H,6-11,13,17H2,1H3.
What are the key properties of [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine?
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine has a molecular weight of 292.38 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-2-yl]methanamine is sourced from PubChem (CID 104567532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).