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Tetrahydrozoline

C13H16N2 — CID 5419

💊View drug profile → tetryzoline

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)CCCC2C1=NCCN1
InChIInChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
InChIKeyBYJAVTDNIXVSPW-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.11
Rot. Bonds1

About Tetrahydrozoline

Tetrahydrozoline (PubChem CID 5419) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound NameTetrahydrozoline
PubChem CID5419
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)CCCC2C1=NCCN1
InChIInChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
InChIKeyBYJAVTDNIXVSPW-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Tetrahydrozoline?
The IUPAC name of Tetrahydrozoline (CID 5419) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for Tetrahydrozoline?
The canonical SMILES for Tetrahydrozoline is c1ccc2c(c1)CCCC2C1=NCCN1.
What is the InChIKey of Tetrahydrozoline?
The InChIKey is BYJAVTDNIXVSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15).
What are the key properties of Tetrahydrozoline?
Tetrahydrozoline has a molecular weight of 200.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Tetrahydrozoline is sourced from PubChem (CID 5419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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