cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

C22H26FN2O+ — CID 8977982

About cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (PubChem CID 8977982) has the molecular formula C22H26FN2O+ and a molecular weight of 353.46 g/mol. Its IUPAC name is cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
• PubChem CID: 8977982
• Molecular Formula: C22H26FN2O+
• Molecular Weight: 353.46 g/mol
• Exact Mass: 353.20
• IUPAC Name: cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
• SMILES: O=C(C[NH+](Cc1ccccc1F)C1CC1)N[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C22H25FN2O/c23-20-10-4-2-7-17(20)14-25(18-12-13-18)15-22(26)24-21-11-5-8-16-6-1-3-9-19(16)21/h1-4,6-7,9-10,18,21H,5,8,11-15H2,(H,24,26)/p+1/t21-/m0/s1
• InChIKey: XKBHDRSVGPXCGV-NRFANRHFSA-O
• XLogP: 2.57
• TPSA: 33.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.46
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?

The IUPAC name of cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (CID 8977982) is cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

What is the SMILES notation for cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?

The canonical SMILES for cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is O=C(C[NH+](Cc1ccccc1F)C1CC1)N[C@H]1CCCc2ccccc21.

What is the InChIKey of cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?

The InChIKey is XKBHDRSVGPXCGV-NRFANRHFSA-O. The full InChI is InChI=1S/C22H25FN2O/c23-20-10-4-2-7-17(20)14-25(18-12-13-18)15-22(26)24-21-11-5-8-16-6-1-3-9-19(16)21/h1-4,6-7,9-10,18,21H,5,8,11-15H2,(H,24,26)/p+1/t21-/m0/s1.

What are the key properties of cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?

cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium has a molecular weight of 353.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is sourced from PubChem (CID 8977982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).