4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline

C12H17F3N2 — CID 55008961

IUPAC4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
SMILESCCN(Cc1ccc(N)c(C)c1)CC(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-3-17(8-12(13,14)15)7-10-4-5-11(16)9(2)6-10/h4-6H,3,7-8,16H2,1-2H3
InChIKeySYMYSRFSCPJLJW-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.96
Rot. Bonds4

About 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline (PubChem CID 55008961) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
PubChem CID55008961
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
SMILESCCN(Cc1ccc(N)c(C)c1)CC(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-3-17(8-12(13,14)15)7-10-4-5-11(16)9(2)6-10/h4-6H,3,7-8,16H2,1-2H3
InChIKeySYMYSRFSCPJLJW-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.96
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

2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55009209
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55009014
2,6-dichloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 82832762
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
CID 62426087
N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62426446
2-chloro-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006318
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 65338803
N-ethyl-2,2,2-trifluoro-N-[[4-[2-(1-methoxyethenyl)-3-methylbut-3-enyl]-3-methylphenyl]methyl]ethanamine
CID 130319661
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62426089
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 55011184

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline?
The IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline (CID 55008961) is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline is CCN(Cc1ccc(N)c(C)c1)CC(F)(F)F.
What is the InChIKey of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline?
The InChIKey is SYMYSRFSCPJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-3-17(8-12(13,14)15)7-10-4-5-11(16)9(2)6-10/h4-6H,3,7-8,16H2,1-2H3.
What are the key properties of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline?
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline has a molecular weight of 246.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 55008961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).