methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate

C15H20FNO2 — CID 54890793

IUPACmethyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2F)CCCCC1C
InChIInChI=1S/C15H20FNO2/c1-11-7-5-6-10-15(11,14(18)19-2)17-13-9-4-3-8-12(13)16/h3-4,8-9,11,17H,5-7,10H2,1-2H3
InChIKeySWNSMSRCDWXGBR-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.36
Rot. Bonds3

About methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate

methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate (PubChem CID 54890793) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate
PubChem CID54890793
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2F)CCCCC1C
InChIInChI=1S/C15H20FNO2/c1-11-7-5-6-10-15(11,14(18)19-2)17-13-9-4-3-8-12(13)16/h3-4,8-9,11,17H,5-7,10H2,1-2H3
InChIKeySWNSMSRCDWXGBR-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-1-(3-methylanilino)cyclohexane-1-carboxylate
CID 54890332
methyl 3-(2-fluoroanilino)-1-azabicyclo[2.2.2]octane-3-carboxylate
CID 61001500
methyl 1-(2-fluoroanilino)-4-methylcycloheptane-1-carboxylate
CID 65085053
1-[(2-fluorophenyl)sulfonylamino]-2-methylcyclohexane-1-carboxylic acid
CID 61292850
2-methyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 65045334
1-(2-chloroanilino)-2-methylcyclopentane-1-carboxamide
CID 65045384
methyl 1-(2-fluorophenyl)cyclobutane-1-carboxylate
CID 75487964
methyl 1-(cyclopentylamino)-2-methylcyclopentane-1-carboxylate
CID 65045135
ethyl 1-(2-fluoroanilino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 82844696
methyl 3-(2-chloroanilino)-2-methylthiane-3-carboxylate
CID 79951848
methyl 1-(4-fluoroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106873006
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate (CID 54890793) is methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate is COC(=O)C1(Nc2ccccc2F)CCCCC1C.
What is the InChIKey of methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate?
The InChIKey is SWNSMSRCDWXGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-7-5-6-10-15(11,14(18)19-2)17-13-9-4-3-8-12(13)16/h3-4,8-9,11,17H,5-7,10H2,1-2H3.
What are the key properties of methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate?
methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 54890793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).