2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine

C16H24N2O — CID 103854347

IUPAC2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H24N2O/c1-3-4-10-19-11-8-17-13-14-5-6-16-15(12-14)7-9-18(16)2/h3,5-6,12,17H,1,4,7-11,13H2,2H3
InChIKeyFAABDVSEBOLBRG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.36
Rot. Bonds8

About 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine

2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine (PubChem CID 103854347) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
PubChem CID103854347
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H24N2O/c1-3-4-10-19-11-8-17-13-14-5-6-16-15(12-14)7-9-18(16)2/h3,5-6,12,17H,1,4,7-11,13H2,2H3
InChIKeyFAABDVSEBOLBRG-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 103854378
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
2-but-3-enoxy-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106833860
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
CID 62097378
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694
2-but-3-enoxy-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 103854452
N-(2-methoxyethyl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 64867290
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104922982

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine (CID 103854347) is 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine is C=CCCOCCNCc1ccc2c(c1)CCN2C.
What is the InChIKey of 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The InChIKey is FAABDVSEBOLBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-4-10-19-11-8-17-13-14-5-6-16-15(12-14)7-9-18(16)2/h3,5-6,12,17H,1,4,7-11,13H2,2H3.
What are the key properties of 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine is sourced from PubChem (CID 103854347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).