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

C10H13F3N2 — CID 43458546

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)CC(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-15(7-10(11,12)13)6-8-4-2-3-5-9(8)14/h2-5H,6-7,14H2,1H3
InChIKeyHEDCEDKINVYNGL-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.26
Rot. Bonds3

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

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 43458546) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID43458546
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)CC(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-15(7-10(11,12)13)6-8-4-2-3-5-9(8)14/h2-5H,6-7,14H2,1H3
InChIKeyHEDCEDKINVYNGL-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine
CID 61214265
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
CID 115462619
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995484
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 43458546) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline is CN(Cc1ccccc1N)CC(F)(F)F.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is HEDCEDKINVYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-15(7-10(11,12)13)6-8-4-2-3-5-9(8)14/h2-5H,6-7,14H2,1H3.
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 218.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 43458546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).