2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid

C10H11F3N2O2 — CID 62255633

IUPAC2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid
SMILESCN(CC(=O)O)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-15(5-9(16)17)8-3-2-6(14)4-7(8)10(11,12)13/h2-4H,5,14H2,1H3,(H,16,17)
InChIKeyOHAQKRSUOMTQTE-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.81
Rot. Bonds3

About 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid

2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid (PubChem CID 62255633) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid
PubChem CID62255633
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid
SMILESCN(CC(=O)O)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-15(5-9(16)17)8-3-2-6(14)4-7(8)10(11,12)13/h2-4H,5,14H2,1H3,(H,16,17)
InChIKeyOHAQKRSUOMTQTE-UHFFFAOYSA-N
XLogP1.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488
N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide
CID 141144605
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81059481
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
1-N-(furan-3-ylmethyl)-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61422232
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61438246
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 97301750
2-[4-bromo-N-propan-2-yl-2-(trifluoromethyl)anilino]acetic acid
CID 65484967
2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
CID 145054676
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 81117715
1-N-methyl-1-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61431772

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid (CID 62255633) is 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid is CN(CC(=O)O)c1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid?
The InChIKey is OHAQKRSUOMTQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-15(5-9(16)17)8-3-2-6(14)4-7(8)10(11,12)13/h2-4H,5,14H2,1H3,(H,16,17).
What are the key properties of 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid?
2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid has a molecular weight of 248.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 62255633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).