5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline

C10H13F3N2O — CID 115413846

IUPAC5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
SMILESCOc1ccc(CNCC(F)(F)F)c(N)c1
InChIInChI=1S/C10H13F3N2O/c1-16-8-3-2-7(9(14)4-8)5-15-6-10(11,12)13/h2-4,15H,5-6,14H2,1H3
InChIKeyMANMUUXODKNSTA-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.93
Rot. Bonds4

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

5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline (PubChem CID 115413846) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
PubChem CID115413846
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline
SMILESCOc1ccc(CNCC(F)(F)F)c(N)c1
InChIInChI=1S/C10H13F3N2O/c1-16-8-3-2-7(9(14)4-8)5-15-6-10(11,12)13/h2-4,15H,5-6,14H2,1H3
InChIKeyMANMUUXODKNSTA-UHFFFAOYSA-N
XLogP1.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.93
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-[(2-chloro-4-methoxyphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257878
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844
2-[[(4,5-dimethylthiophen-2-yl)methylamino]methyl]-5-methoxyaniline
CID 115414202
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 102876575
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 113305341
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257877

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline?
The IUPAC name of 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline (CID 115413846) is 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline.
What is the SMILES notation for 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline?
The canonical SMILES for 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline is COc1ccc(CNCC(F)(F)F)c(N)c1.
What is the InChIKey of 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline?
The InChIKey is MANMUUXODKNSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-16-8-3-2-7(9(14)4-8)5-15-6-10(11,12)13/h2-4,15H,5-6,14H2,1H3.
What are the key properties of 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline?
5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline has a molecular weight of 234.22 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2,2,2-trifluoroethylamino)methyl]aniline is sourced from PubChem (CID 115413846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).