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

C12H17F3N2 — CID 43459900

IUPAC2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)CC(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-2-7-17(9-12(13,14)15)8-10-5-3-4-6-11(10)16/h3-6H,2,7-9,16H2,1H3
InChIKeyIASNZXARSXMPPB-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.04
Rot. Bonds5

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

2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline (PubChem CID 43459900) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
PubChem CID43459900
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)CC(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-2-7-17(9-12(13,14)15)8-10-5-3-4-6-11(10)16/h3-6H,2,7-9,16H2,1H3
InChIKeyIASNZXARSXMPPB-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.04
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-fluoro-3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 107347369
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
CID 61490610
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357
2-chloro-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006318
2-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55009209
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117

Frequently Asked Questions

What is the IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline (CID 43459900) is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline is CCCN(Cc1ccccc1N)CC(F)(F)F.
What is the InChIKey of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
The InChIKey is IASNZXARSXMPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-2-7-17(9-12(13,14)15)8-10-5-3-4-6-11(10)16/h3-6H,2,7-9,16H2,1H3.
What are the key properties of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline?
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline has a molecular weight of 246.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline is sourced from PubChem (CID 43459900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).