N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide

C14H19F3N2O2 — CID 122629192

IUPACN-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(C)c(C(C)(C)CNC(=O)C(F)(F)F)cc1N
InChIInChI=1S/C14H19F3N2O2/c1-8-5-11(21-4)10(18)6-9(8)13(2,3)7-19-12(20)14(15,16)17/h5-6H,7,18H2,1-4H3,(H,19,20)
InChIKeyNOIXQCWTSMQRKB-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide

N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide (PubChem CID 122629192) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide
PubChem CID122629192
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(C)c(C(C)(C)CNC(=O)C(F)(F)F)cc1N
InChIInChI=1S/C14H19F3N2O2/c1-8-5-11(21-4)10(18)6-9(8)13(2,3)7-19-12(20)14(15,16)17/h5-6H,7,18H2,1-4H3,(H,19,20)
InChIKeyNOIXQCWTSMQRKB-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-amino-5-methoxy-2-methylphenyl)methyl]-2,2,2-trifluoroacetamide
CID 122629173
[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea
CID 115168800
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
methyl 4-amino-5-methoxy-2-(trifluoromethyl)benzoate
CID 67254453
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide
CID 115175276
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide (CID 122629192) is N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide is COc1cc(C)c(C(C)(C)CNC(=O)C(F)(F)F)cc1N.
What is the InChIKey of N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The InChIKey is NOIXQCWTSMQRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-8-5-11(21-4)10(18)6-9(8)13(2,3)7-19-12(20)14(15,16)17/h5-6H,7,18H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide has a molecular weight of 304.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 122629192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).