N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine

C15H22N2O2 — CID 55021172

IUPACN-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O2/c1-18-9-10-19-8-4-7-16-11-13-12-17-15-6-3-2-5-14(13)15/h2-3,5-6,12,16-17H,4,7-11H2,1H3
InChIKeyFWPMNVPTQWMDOP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds9

About N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine

N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 55021172) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID55021172
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O2/c1-18-9-10-19-8-4-7-16-11-13-12-17-15-6-3-2-5-14(13)15/h2-3,5-6,12,16-17H,4,7-11H2,1H3
InChIKeyFWPMNVPTQWMDOP-UHFFFAOYSA-N
XLogP2.31
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
N-(1H-indol-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843083
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 63001392
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 110997135
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60705007
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
CID 28720750
3-(2-butoxyethoxymethyl)-1H-indole
CID 170026561
3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine (CID 55021172) is N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is FWPMNVPTQWMDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-9-10-19-8-4-7-16-11-13-12-17-15-6-3-2-5-14(13)15/h2-3,5-6,12,16-17H,4,7-11H2,1H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 55021172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).