methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate

C15H20F3NO2 — CID 61002525

IUPACmethyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-10(2)9-19-14(3,13(20)21-4)11-6-5-7-12(8-11)15(16,17)18/h5-8,10,19H,9H2,1-4H3
InChIKeyUTLAZFVZDJRASJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.34
Rot. Bonds5

About methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate

methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate (PubChem CID 61002525) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
PubChem CID61002525
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Namemethyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-10(2)9-19-14(3,13(20)21-4)11-6-5-7-12(8-11)15(16,17)18/h5-8,10,19H,9H2,1-4H3
InChIKeyUTLAZFVZDJRASJ-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71977559
methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
CID 61001430
CID 145487339
CID 145487339
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
methyl 2-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]butanoate
CID 115050962
methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
CID 60788201
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
methylcyclopropane;methyl 2,2-difluoro-2-[3-(trifluoromethyl)phenyl]acetate
CID 176659778

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate (CID 61002525) is methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate is COC(=O)C(C)(NCC(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate?
The InChIKey is UTLAZFVZDJRASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10(2)9-19-14(3,13(20)21-4)11-6-5-7-12(8-11)15(16,17)18/h5-8,10,19H,9H2,1-4H3.
What are the key properties of methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate?
methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate has a molecular weight of 303.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 61002525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).