5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline

C11H15F3N2O — CID 113305265

IUPAC5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCOc1ccc(CN(C)CC(F)(F)F)c(N)c1
InChIInChI=1S/C11H15F3N2O/c1-16(7-11(12,13)14)6-8-3-4-9(17-2)5-10(8)15/h3-5H,6-7,15H2,1-2H3
InChIKeyKVARYNIGSCCAAP-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.27
Rot. Bonds4

About 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline

5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 113305265) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID113305265
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCOc1ccc(CN(C)CC(F)(F)F)c(N)c1
InChIInChI=1S/C11H15F3N2O/c1-16(7-11(12,13)14)6-8-3-4-9(17-2)5-10(8)15/h3-5H,6-7,15H2,1-2H3
InChIKeyKVARYNIGSCCAAP-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine
CID 61214265
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
CID 115413846
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
CID 115413853
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
N'-[(2-amino-5-methoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 115414152
2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189509

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 113305265) is 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline is COc1ccc(CN(C)CC(F)(F)F)c(N)c1.
What is the InChIKey of 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is KVARYNIGSCCAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16(7-11(12,13)14)6-8-3-4-9(17-2)5-10(8)15/h3-5H,6-7,15H2,1-2H3.
What are the key properties of 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 248.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 113305265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).