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

C20H24FN2O+ — CID 8961887

IUPAC(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESC[NH+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccc(F)c1
InChIInChI=1S/C20H23FN2O/c1-23(13-15-6-4-9-17(21)12-15)14-20(24)22-19-11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,19H,5,8,11,13-14H2,1H3,(H,22,24)/p+1/t19-/m1/s1
InChIKeyXHPIQOWJBGQWSE-LJQANCHMSA-O
MW327.42 g/mol
LogP2.03
Rot. Bonds5

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

(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (PubChem CID 8961887) has the molecular formula C20H24FN2O+ and a molecular weight of 327.42 g/mol. Its IUPAC name is (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
PubChem CID8961887
Molecular FormulaC20H24FN2O+
Molecular Weight327.42 g/mol
Exact Mass327.19
IUPAC Name(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESC[NH+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccc(F)c1
InChIInChI=1S/C20H23FN2O/c1-23(13-15-6-4-9-17(21)12-15)14-20(24)22-19-11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,19H,5,8,11,13-14H2,1H3,(H,22,24)/p+1/t19-/m1/s1
InChIKeyXHPIQOWJBGQWSE-LJQANCHMSA-O
XLogP2.03
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3-fluorophenyl)acetate
CID 8589815
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9049425
(2-chlorophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9058009
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8905315
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9295679
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9166290
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8805450
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9198773
methyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium
CID 9296476
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8977982

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The IUPAC name of (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (CID 8961887) is (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.
What is the SMILES notation for (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The canonical SMILES for (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is C[NH+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The InChIKey is XHPIQOWJBGQWSE-LJQANCHMSA-O. The full InChI is InChI=1S/C20H23FN2O/c1-23(13-15-6-4-9-17(21)12-15)14-20(24)22-19-11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,19H,5,8,11,13-14H2,1H3,(H,22,24)/p+1/t19-/m1/s1.
What are the key properties of (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
(3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium has a molecular weight of 327.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is sourced from PubChem (CID 8961887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).