[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium

C15H24NO+ — CID 56927818

IUPAC[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium
SMILESCCC[NH2+][C@@H]1CCc2c(OC)cccc2[C@@H]1C
InChIInChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/p+1/t11-,14+/m0/s1
InChIKeyYGHLYBIUVOLKCV-SMDDNHRTSA-O
MW234.36 g/mol
LogP2.09
Rot. Bonds4

About [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium

[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium (PubChem CID 56927818) has the molecular formula C15H24NO+ and a molecular weight of 234.36 g/mol. Its IUPAC name is [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium.

Molecular Properties

Compound Name[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium
PubChem CID56927818
Molecular FormulaC15H24NO+
Molecular Weight234.36 g/mol
Exact Mass234.19
IUPAC Name[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium
SMILESCCC[NH2+][C@@H]1CCc2c(OC)cccc2[C@@H]1C
InChIInChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/p+1/t11-,14+/m0/s1
InChIKeyYGHLYBIUVOLKCV-SMDDNHRTSA-O
XLogP2.09
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium?
The IUPAC name of [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium (CID 56927818) is [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium.
What is the SMILES notation for [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium?
The canonical SMILES for [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium is CCC[NH2+][C@@H]1CCc2c(OC)cccc2[C@@H]1C.
What is the InChIKey of [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium?
The InChIKey is YGHLYBIUVOLKCV-SMDDNHRTSA-O. The full InChI is InChI=1S/C15H23NO/c1-4-10-16-14-9-8-13-12(11(14)2)6-5-7-15(13)17-3/h5-7,11,14,16H,4,8-10H2,1-3H3/p+1/t11-,14+/m0/s1.
What are the key properties of [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium?
[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium has a molecular weight of 234.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium is sourced from PubChem (CID 56927818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).