methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate

C17H18FNO2 — CID 60991205

IUPACmethyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
SMILESCOC(=O)C(C)(Nc1ccc(C)cc1)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-12-8-10-13(11-9-12)19-17(2,16(20)21-3)14-6-4-5-7-15(14)18/h4-11,19H,1-3H3
InChIKeyJBDRKDHKWXFOPW-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate

methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate (PubChem CID 60991205) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
PubChem CID60991205
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Namemethyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
SMILESCOC(=O)C(C)(Nc1ccc(C)cc1)c1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-12-8-10-13(11-9-12)19-17(2,16(20)21-3)14-6-4-5-7-15(14)18/h4-11,19H,1-3H3
InChIKeyJBDRKDHKWXFOPW-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
CID 60992066
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)propanoate
CID 60992217
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
methyl 2-anilino-2-(2-methoxyphenyl)propanoate
CID 60990815
methyl 2-anilino-2-(2-fluorophenyl)butanoate
CID 115994470
methyl 2-(cyclopentylamino)-2-(2-fluorophenyl)propanoate
CID 54894107
methyl 2-(5-bromofuran-2-yl)-2-(4-methylanilino)propanoate
CID 104653371
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
methyl 2-anilino-2-(3-bromo-4-fluorophenyl)propanoate
CID 62913154
[1-(2-fluorophenyl)-1-methoxyethyl]carbamic acid
CID 66877184

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate?
The IUPAC name of methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate (CID 60991205) is methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate is COC(=O)C(C)(Nc1ccc(C)cc1)c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate?
The InChIKey is JBDRKDHKWXFOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12-8-10-13(11-9-12)19-17(2,16(20)21-3)14-6-4-5-7-15(14)18/h4-11,19H,1-3H3.
What are the key properties of methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate?
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate has a molecular weight of 287.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate is sourced from PubChem (CID 60991205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).