5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

C13H15NO — CID 130014165

IUPAC5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCNC1CCc2cc(OC)ccc21
InChIInChI=1S/C13H15NO/c1-3-8-14-13-7-4-10-9-11(15-2)5-6-12(10)13/h1,5-6,9,13-14H,4,7-8H2,2H3
InChIKeyGKAXZCMNXZOIBF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.91
Rot. Bonds3

About 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 130014165) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID130014165
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCNC1CCc2cc(OC)ccc21
InChIInChI=1S/C13H15NO/c1-3-8-14-13-7-4-10-9-11(15-2)5-6-12(10)13/h1,5-6,9,13-14H,4,7-8H2,2H3
InChIKeyGKAXZCMNXZOIBF-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
CID 107683662
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262380
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
methanesulfonic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine;hydrate
CID 140668931
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
CID 15908437
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethylcarbamate
CID 11022796
formic acid;(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 53378998

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (CID 130014165) is 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCNC1CCc2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GKAXZCMNXZOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-8-14-13-7-4-10-9-11(15-2)5-6-12(10)13/h1,5-6,9,13-14H,4,7-8H2,2H3.
What are the key properties of 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130014165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).