N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine

C16H25NO2 — CID 104647071

IUPACN-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(OCCCCOC)cccc21
InChIInChI=1S/C16H25NO2/c1-3-17-15-10-9-14-13(15)7-6-8-16(14)19-12-5-4-11-18-2/h6-8,15,17H,3-5,9-12H2,1-2H3
InChIKeyPMZJQVSDGNUUBW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds8

About N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine

N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 104647071) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID104647071
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(OCCCCOC)cccc21
InChIInChI=1S/C16H25NO2/c1-3-17-15-10-9-14-13(15)7-6-8-16(14)19-12-5-4-11-18-2/h6-8,15,17H,3-5,9-12H2,1-2H3
InChIKeyPMZJQVSDGNUUBW-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine (CID 104647071) is N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine is CCNC1CCc2c(OCCCCOC)cccc21.
What is the InChIKey of N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PMZJQVSDGNUUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17-15-10-9-14-13(15)7-6-8-16(14)19-12-5-4-11-18-2/h6-8,15,17H,3-5,9-12H2,1-2H3.
What are the key properties of N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine?
N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104647071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).