4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

C11H14F3NO — CID 61492510

IUPAC4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCc1ccc(NCCOCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-9-2-4-10(5-3-9)15-6-7-16-8-11(12,13)14/h2-5,15H,6-8H2,1H3
InChIKeySRTQMTICHITFIM-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.99
Rot. Bonds5

About 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (PubChem CID 61492510) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
PubChem CID61492510
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCc1ccc(NCCOCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-9-2-4-10(5-3-9)15-6-7-16-8-11(12,13)14/h2-5,15H,6-8H2,1H3
InChIKeySRTQMTICHITFIM-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962118
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
4-methyl-N-(2-octoxyethyl)aniline
CID 55196858
N-(2-but-3-enoxyethyl)-4-methylaniline
CID 62599565
5-methyl-3-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,3-diamine
CID 112647815
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]isoindole-1,3-dione
CID 61492358
4-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491160
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
CID 63828976

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (CID 61492510) is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is Cc1ccc(NCCOCC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The InChIKey is SRTQMTICHITFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-9-2-4-10(5-3-9)15-6-7-16-8-11(12,13)14/h2-5,15H,6-8H2,1H3.
What are the key properties of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline has a molecular weight of 233.23 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is sourced from PubChem (CID 61492510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).