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

C11H15F3N2 — CID 43459084

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-2-16(8-11(12,13)14)7-9-4-3-5-10(15)6-9/h3-6H,2,7-8,15H2,1H3
InChIKeyLLDNPVPUOXNZBF-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.65
Rot. Bonds4

About 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline

3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 43459084) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID43459084
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-2-16(8-11(12,13)14)7-9-4-3-5-10(15)6-9/h3-6H,2,7-8,15H2,1H3
InChIKeyLLDNPVPUOXNZBF-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.65
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

N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62426446
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 55011184
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55008961
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
3-[[(4-chloro-3-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 107881986
1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 55055206
2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 82832762
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361
3-[[ethyl(4-methylpentyl)amino]methyl]aniline
CID 83157449

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 43459084) is 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline is CCN(Cc1cccc(N)c1)CC(F)(F)F.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is LLDNPVPUOXNZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-2-16(8-11(12,13)14)7-9-4-3-5-10(15)6-9/h3-6H,2,7-8,15H2,1H3.
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 232.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 43459084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).