2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine

C16H23NO — CID 103854378

IUPAC2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
SMILESC=CCCOCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO/c1-2-3-10-18-11-9-17-13-14-7-8-15-5-4-6-16(15)12-14/h2,7-8,12,17H,1,3-6,9-11,13H2
InChIKeyGYBAYDVOEVFKMU-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.86
Rot. Bonds8

About 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine

2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine (PubChem CID 103854378) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
PubChem CID103854378
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
SMILESC=CCCOCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO/c1-2-3-10-18-11-9-17-13-14-7-8-15-5-4-6-16(15)12-14/h2,7-8,12,17H,1,3-6,9-11,13H2
InChIKeyGYBAYDVOEVFKMU-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 65024077
2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 103854347
2-but-3-enoxy-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 103854452
2-but-3-enoxy-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106833860
N-[(3-bromo-4-fluorophenyl)methyl]-2-but-3-enoxyethanamine
CID 103854477
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
2-but-3-enoxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103854397
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085
2-but-3-enoxy-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 103854371
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
CID 115660114
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
methyl 4-[(2-but-3-enoxyethylamino)methyl]benzoate
CID 103923899

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine (CID 103854378) is 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine is C=CCCOCCNCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
The InChIKey is GYBAYDVOEVFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-10-18-11-9-17-13-14-7-8-15-5-4-6-16(15)12-14/h2,7-8,12,17H,1,3-6,9-11,13H2.
What are the key properties of 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine?
2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine is sourced from PubChem (CID 103854378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).