2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline

C11H15F3N2 — CID 174478916

IUPAC2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline
SMILESCCNCCc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H15F3N2/c1-2-16-6-5-8-3-4-9(7-10(8)15)11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3
InChIKeyIOHZLFUSTBPWRB-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.44
Rot. Bonds4

About 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline

2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline (PubChem CID 174478916) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline
PubChem CID174478916
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline
SMILESCCNCCc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H15F3N2/c1-2-16-6-5-8-3-4-9(7-10(8)15)11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3
InChIKeyIOHZLFUSTBPWRB-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-5-(trifluoromethyl)aniline
CID 105455059
2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline
CID 105472048
2-[2-bromo-5-(trifluoromethyl)phenyl]-N-ethylethanamine
CID 174622825
3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline
CID 142896170
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
N-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489159
N-ethyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 79021470
2-amino-4-(trifluoromethyl)benzenethiol;hydron;chloride
CID 51064124
5-[2-[3-amino-4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(aminomethyl)aniline
CID 150123604
2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline (CID 174478916) is 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline is CCNCCc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is IOHZLFUSTBPWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-2-16-6-5-8-3-4-9(7-10(8)15)11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3.
What are the key properties of 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline?
2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 232.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 174478916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).