(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

C17H26FN2O+ — CID 8709235

IUPAC(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESC[C@H]1CCCC[C@H]1NC(=O)C[NH+](C)Cc1ccccc1F
InChIInChI=1S/C17H25FN2O/c1-13-7-3-6-10-16(13)19-17(21)12-20(2)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H,19,21)/p+1/t13-,16+/m0/s1
InChIKeyJAEZZBJKEVBESK-XJKSGUPXSA-O
MW293.41 g/mol
LogP1.54
Rot. Bonds5

About (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (PubChem CID 8709235) has the molecular formula C17H26FN2O+ and a molecular weight of 293.41 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
PubChem CID8709235
Molecular FormulaC17H26FN2O+
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESC[C@H]1CCCC[C@H]1NC(=O)C[NH+](C)Cc1ccccc1F
InChIInChI=1S/C17H25FN2O/c1-13-7-3-6-10-16(13)19-17(21)12-20(2)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H,19,21)/p+1/t13-,16+/m0/s1
InChIKeyJAEZZBJKEVBESK-XJKSGUPXSA-O
XLogP1.54
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8676651
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 8559716
2-[4-[(2-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9442923
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136688
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136682
(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11933594
(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8557325
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11938623
(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11932706

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The IUPAC name of (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (CID 8709235) is (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is C[C@H]1CCCC[C@H]1NC(=O)C[NH+](C)Cc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The InChIKey is JAEZZBJKEVBESK-XJKSGUPXSA-O. The full InChI is InChI=1S/C17H25FN2O/c1-13-7-3-6-10-16(13)19-17(21)12-20(2)11-14-8-4-5-9-15(14)18/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H,19,21)/p+1/t13-,16+/m0/s1.
What are the key properties of (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium has a molecular weight of 293.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8709235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).