N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine

C14H20N2O2 — CID 63001392

IUPACN-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1cccc2[nH]ccc12
InChIInChI=1S/C14H20N2O2/c1-17-9-10-18-8-7-15-11-12-3-2-4-14-13(12)5-6-16-14/h2-6,15-16H,7-11H2,1H3
InChIKeyRGPOTACZIKRQMX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds8

About N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine

N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 63001392) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
PubChem CID63001392
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1cccc2[nH]ccc12
InChIInChI=1S/C14H20N2O2/c1-17-9-10-18-8-7-15-11-12-3-2-4-14-13(12)5-6-16-14/h2-6,15-16H,7-11H2,1H3
InChIKeyRGPOTACZIKRQMX-UHFFFAOYSA-N
XLogP1.92
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
N-(1H-indol-4-ylmethyl)-3-[(4-methoxyphenyl)methoxy]propan-1-amine
CID 119110696
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
2-(3-methoxypropoxy)-N-(naphthalen-1-ylmethyl)ethanamine
CID 103178918
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine (CID 63001392) is N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine is COCCOCCNCc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is RGPOTACZIKRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-9-10-18-8-7-15-11-12-3-2-4-14-13(12)5-6-16-14/h2-6,15-16H,7-11H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine?
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 63001392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).