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

C17H26FN2O+ — CID 8676651

IUPAC(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)Cc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-13-5-3-4-6-16(13)19-17(21)12-20(2)11-14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,19,21)/p+1/t13-,16-/m1/s1
InChIKeyJHAXFMWVHXDNPC-CZUORRHYSA-O
MW293.41 g/mol
LogP1.54
Rot. Bonds5

About (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium

(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (PubChem CID 8676651) has the molecular formula C17H26FN2O+ and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
PubChem CID8676651
Molecular FormulaC17H26FN2O+
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)Cc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-13-5-3-4-6-16(13)19-17(21)12-20(2)11-14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,19,21)/p+1/t13-,16-/m1/s1
InChIKeyJHAXFMWVHXDNPC-CZUORRHYSA-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 (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8557325
(2-fluorophenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709235
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 11930201
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613028
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 11938350
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
2-(2,4-difluorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 110488908
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 2627211
[(2S)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 124772162
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8613214
(2-methoxy-5-methylphenyl)methyl-methyl-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11933594

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The IUPAC name of (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium (CID 8676651) is (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is C[C@@H]1CCCC[C@H]1NC(=O)C[NH+](C)Cc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
The InChIKey is JHAXFMWVHXDNPC-CZUORRHYSA-O. The full InChI is InChI=1S/C17H25FN2O/c1-13-5-3-4-6-16(13)19-17(21)12-20(2)11-14-7-9-15(18)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,19,21)/p+1/t13-,16-/m1/s1.
What are the key properties of (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium?
(4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-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 (4-fluorophenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8676651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).