N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride

C13H20ClNO — CID 126810075

IUPACN-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCCOCCNC1CCc2ccccc21.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-15-10-9-14-13-8-7-11-5-3-4-6-12(11)13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKeyFEHFAVHBLUVYOQ-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.72
Rot. Bonds5

About N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride

N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 126810075) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID126810075
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCCOCCNC1CCc2ccccc21.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-15-10-9-14-13-8-7-11-5-3-4-6-12(11)13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKeyFEHFAVHBLUVYOQ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 126810075) is N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride is CCOCCNC1CCc2ccccc21.Cl.
What is the InChIKey of N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is FEHFAVHBLUVYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-15-10-9-14-13-8-7-11-5-3-4-6-12(11)13;/h3-6,13-14H,2,7-10H2,1H3;1H.
What are the key properties of N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride?
N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 126810075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).