6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine

C15H23NO — CID 79837369

IUPAC6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2ccc(OCC)cc21
InChIInChI=1S/C15H23NO/c1-5-16-14-10-15(3,4)13-8-7-11(17-6-2)9-12(13)14/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyJWRIFEJXBYOPAT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.42
Rot. Bonds4

About 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine

6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine (PubChem CID 79837369) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine
PubChem CID79837369
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCCNC1CC(C)(C)c2ccc(OCC)cc21
InChIInChI=1S/C15H23NO/c1-5-16-14-10-15(3,4)13-8-7-11(17-6-2)9-12(13)14/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyJWRIFEJXBYOPAT-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine (CID 79837369) is 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine is CCNC1CC(C)(C)c2ccc(OCC)cc21.
What is the InChIKey of 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine?
The InChIKey is JWRIFEJXBYOPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16-14-10-15(3,4)13-8-7-11(17-6-2)9-12(13)14/h7-9,14,16H,5-6,10H2,1-4H3.
What are the key properties of 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine?
6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79837369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).