3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine

C16H25NO — CID 62459279

IUPAC3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)COc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-12(2)17-10-13(3)11-18-16-8-7-14-5-4-6-15(14)9-16/h7-9,12-13,17H,4-6,10-11H2,1-3H3
InChIKeyZYCHFHWHDLHMCE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine

3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62459279) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62459279
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)COc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-12(2)17-10-13(3)11-18-16-8-7-14-5-4-6-15(14)9-16/h7-9,12-13,17H,4-6,10-11H2,1-3H3
InChIKeyZYCHFHWHDLHMCE-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
CID 62459278
1-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ylhydrazine
CID 82283353
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
1-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506688
N-ethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-2-amine
CID 62038734
3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62486584
1-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-2-amine
CID 62043866
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
CID 43166218
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine (CID 62459279) is 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)COc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ZYCHFHWHDLHMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)17-10-13(3)11-18-16-8-7-14-5-4-6-15(14)9-16/h7-9,12-13,17H,4-6,10-11H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62459279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).