3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline

C11H15F3N2 — CID 142896170

IUPAC3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline
SMILESCCNCCc1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-2-16-6-5-8-7-9(15)3-4-10(8)11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3
InChIKeyOIXWXZRREKRPRS-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.44
Rot. Bonds4

About 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline

3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline (PubChem CID 142896170) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline
PubChem CID142896170
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline
SMILESCCNCCc1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-2-16-6-5-8-7-9(15)3-4-10(8)11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3
InChIKeyOIXWXZRREKRPRS-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline (CID 142896170) is 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline is CCNCCc1cc(N)ccc1C(F)(F)F.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline?
The InChIKey is OIXWXZRREKRPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-2-16-6-5-8-7-9(15)3-4-10(8)11(12,13)14/h3-4,7,16H,2,5-6,15H2,1H3.
What are the key properties of 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline?
3-[2-(ethylamino)ethyl]-4-(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 3-[2-(ethylamino)ethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 142896170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).