5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine

C15H23ClN2O — CID 107094112

IUPAC5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCN(C)CCOCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H23ClN2O/c1-18(2)6-8-19-7-5-17-15-10-12-3-4-14(16)9-13(12)11-15/h3-4,9,15,17H,5-8,10-11H2,1-2H3
InChIKeyFMVXMKMXOCGUFT-UHFFFAOYSA-N
MW282.81 g/mol
LogP1.98
Rot. Bonds7

About 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 107094112) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID107094112
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCN(C)CCOCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H23ClN2O/c1-18(2)6-8-19-7-5-17-15-10-12-3-4-14(16)9-13(12)11-15/h3-4,9,15,17H,5-8,10-11H2,1-2H3
InChIKeyFMVXMKMXOCGUFT-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 51.98
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 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine (CID 107094112) is 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine is CN(C)CCOCCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is FMVXMKMXOCGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-18(2)6-8-19-7-5-17-15-10-12-3-4-14(16)9-13(12)11-15/h3-4,9,15,17H,5-8,10-11H2,1-2H3.
What are the key properties of 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 282.81 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107094112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).