2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline

C12H16F3NO — CID 102847349

IUPAC2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
SMILESCOCCc1ccccc1NCCC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-17-9-6-10-4-2-3-5-11(10)16-8-7-12(13,14)15/h2-5,16H,6-9H2,1H3
InChIKeyPTKMMPIIVMIDKA-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.24
Rot. Bonds6

About 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline

2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 102847349) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
PubChem CID102847349
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
SMILESCOCCc1ccccc1NCCC(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-17-9-6-10-4-2-3-5-11(10)16-8-7-12(13,14)15/h2-5,16H,6-9H2,1H3
InChIKeyPTKMMPIIVMIDKA-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
CID 107446264
N-(2-cyclopropylethyl)-2-(2-methoxyethyl)aniline
CID 102847355
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
2-propyl-N-(4,4,4-trifluorobutyl)aniline
CID 113326332
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
2-benzyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554179
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
CID 103370255
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline (CID 102847349) is 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline is COCCc1ccccc1NCCC(F)(F)F.
What is the InChIKey of 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is PTKMMPIIVMIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-17-9-6-10-4-2-3-5-11(10)16-8-7-12(13,14)15/h2-5,16H,6-9H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline?
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 247.26 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 102847349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).