N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine

C12H17NO — CID 2245144

IUPACN-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOCCNC1Cc2ccccc2C1
InChIInChI=1S/C12H17NO/c1-14-7-6-13-12-8-10-4-2-3-5-11(10)9-12/h2-5,12-13H,6-9H2,1H3
InChIKeyWJJJQIAAALUHCD-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.39
Rot. Bonds4

About N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine

N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 2245144) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID2245144
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOCCNC1Cc2ccccc2C1
InChIInChI=1S/C12H17NO/c1-14-7-6-13-12-8-10-4-2-3-5-11(10)9-12/h2-5,12-13H,6-9H2,1H3
InChIKeyWJJJQIAAALUHCD-UHFFFAOYSA-N
XLogP1.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.39
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-methoxyethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine (CID 2245144) is N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine is COCCNC1Cc2ccccc2C1.
What is the InChIKey of N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is WJJJQIAAALUHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-7-6-13-12-8-10-4-2-3-5-11(10)9-12/h2-5,12-13H,6-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine?
N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 191.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 2245144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).