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

C16H25NO — CID 62459278

IUPAC3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)COc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-3-9-17-11-13(2)12-18-16-8-7-14-5-4-6-15(14)10-16/h7-8,10,13,17H,3-6,9,11-12H2,1-2H3
InChIKeyVSTXAEZRPSJYCZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds7

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

3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine (PubChem CID 62459278) 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-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
PubChem CID62459278
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)COc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-3-9-17-11-13(2)12-18-16-8-7-14-5-4-6-15(14)10-16/h7-8,10,13,17H,3-6,9,11-12H2,1-2H3
InChIKeyVSTXAEZRPSJYCZ-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
CID 43166218
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62459279
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
CID 103228424
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
3-(4-bromo-3-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 65201278
N-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558683
2-methyl-N-propyl-3-(4-propylphenoxy)propan-1-amine
CID 62549611
1-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ylhydrazine
CID 82283353
1-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-2-amine
CID 62043866
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol
CID 2232033

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine (CID 62459278) is 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)COc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine?
The InChIKey is VSTXAEZRPSJYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-9-17-11-13(2)12-18-16-8-7-14-5-4-6-15(14)10-16/h7-8,10,13,17H,3-6,9,11-12H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine?
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.19, 7 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-propylpropan-1-amine is sourced from PubChem (CID 62459278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).