2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline

C13H19F3N2 — CID 55009209

IUPAC2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCCN(Cc1ccc(N)c(C)c1)CC(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-6-18(9-13(14,15)16)8-11-4-5-12(17)10(2)7-11/h4-5,7H,3,6,8-9,17H2,1-2H3
InChIKeyPANNXCXXNDUIAE-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.35
Rot. Bonds5

About 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline

2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 55009209) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID55009209
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCCN(Cc1ccc(N)c(C)c1)CC(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-6-18(9-13(14,15)16)8-11-4-5-12(17)10(2)7-11/h4-5,7H,3,6,8-9,17H2,1-2H3
InChIKeyPANNXCXXNDUIAE-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.35
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

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55008961
2-chloro-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006318
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114478730
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine
CID 55075177
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55009014
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55073626
2-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
[5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methanol
CID 112548849
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62019836
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 55009209) is 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline is CCCN(Cc1ccc(N)c(C)c1)CC(F)(F)F.
What is the InChIKey of 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is PANNXCXXNDUIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-6-18(9-13(14,15)16)8-11-4-5-12(17)10(2)7-11/h4-5,7H,3,6,8-9,17H2,1-2H3.
What are the key properties of 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 260.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 55009209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).