6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde

C13H16N2O2 — CID 22139320

IUPAC6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde
SMILESCOCCNCc1ccc2c(C=O)c[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-17-5-4-14-7-10-2-3-12-11(9-16)8-15-13(12)6-10/h2-3,6,8-9,14-15H,4-5,7H2,1H3
InChIKeyQSWLLUBXDODNGF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.72
Rot. Bonds6

About 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde

6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde (PubChem CID 22139320) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde
PubChem CID22139320
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde
SMILESCOCCNCc1ccc2c(C=O)c[nH]c2c1
InChIInChI=1S/C13H16N2O2/c1-17-5-4-14-7-10-2-3-12-11(9-16)8-15-13(12)6-10/h2-3,6,8-9,14-15H,4-5,7H2,1H3
InChIKeyQSWLLUBXDODNGF-UHFFFAOYSA-N
XLogP1.72
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-formyl-1H-indol-5-yl)methyl]acetamide
CID 22139326
methyl 3-(3-formyl-1H-indol-6-yl)prop-2-enoate
CID 86162706
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 90673364
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
5-(fluoromethyl)-1H-indole-3-carbaldehyde
CID 163735426
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63807890
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
CID 17056671
6-(3-methoxypropyl)-3-methyl-1H-indole
CID 174517880
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062511

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde?
The IUPAC name of 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde (CID 22139320) is 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde is COCCNCc1ccc2c(C=O)c[nH]c2c1.
What is the InChIKey of 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde?
The InChIKey is QSWLLUBXDODNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-5-4-14-7-10-2-3-12-11(9-16)8-15-13(12)6-10/h2-3,6,8-9,14-15H,4-5,7H2,1H3.
What are the key properties of 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde?
6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde has a molecular weight of 232.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 22139320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).