2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium

C13H20NO+ — CID 7014321

IUPAC2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
SMILESCOCC[NH2+][C@H]1CCc2ccccc2C1
InChIInChI=1S/C13H19NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3/p+1/t13-/m0/s1
InChIKeyKCZWUGOVLFXUDH-ZDUSSCGKSA-O
MW206.31 g/mol
LogP0.75
Rot. Bonds4

About 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium

2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium (PubChem CID 7014321) has the molecular formula C13H20NO+ and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium.

Molecular Properties

Compound Name2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
PubChem CID7014321
Molecular FormulaC13H20NO+
Molecular Weight206.31 g/mol
Exact Mass206.15
IUPAC Name2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
SMILESCOCC[NH2+][C@H]1CCc2ccccc2C1
InChIInChI=1S/C13H19NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3/p+1/t13-/m0/s1
InChIKeyKCZWUGOVLFXUDH-ZDUSSCGKSA-O
XLogP0.75
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium?
The IUPAC name of 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium (CID 7014321) is 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium.
What is the SMILES notation for 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium?
The canonical SMILES for 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium is COCC[NH2+][C@H]1CCc2ccccc2C1.
What is the InChIKey of 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium?
The InChIKey is KCZWUGOVLFXUDH-ZDUSSCGKSA-O. The full InChI is InChI=1S/C13H19NO/c1-15-9-8-14-13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3/p+1/t13-/m0/s1.
What are the key properties of 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium?
2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium has a molecular weight of 206.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium is sourced from PubChem (CID 7014321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).