N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline

C13H18F3NO2 — CID 103409295

IUPACN-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
SMILESCOCCOCCCNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-18-9-10-19-8-4-7-17-12-6-3-2-5-11(12)13(14,15)16/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeySFZMCURMYDXTRK-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.17
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline

N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline (PubChem CID 103409295) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
PubChem CID103409295
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
SMILESCOCCOCCCNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-18-9-10-19-8-4-7-17-12-6-3-2-5-11(12)13(14,15)16/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeySFZMCURMYDXTRK-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propoxypropyl)-2-(trifluoromethyl)aniline
CID 82944074
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline
CID 103409328
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
CID 61492201
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfanylaniline
CID 107644761
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(trifluoromethyl)aniline
CID 103409498
4-methoxy-1-N-[2-(trifluoromethyl)phenyl]butane-1,3-diamine
CID 106244540
4-[2-(trifluoromethyl)anilino]butanoic acid
CID 18071647
N-(5-methylhexyl)-2-(trifluoromethyl)aniline
CID 115326059
6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109114208
N-(5-chloropentyl)-2-(trifluoromethyl)aniline
CID 107320506
N-(6-chlorohexyl)-2-(trifluoromethyl)aniline
CID 107846141

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline (CID 103409295) is N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline is COCCOCCCNc1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline?
The InChIKey is SFZMCURMYDXTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-18-9-10-19-8-4-7-17-12-6-3-2-5-11(12)13(14,15)16/h2-3,5-6,17H,4,7-10H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline?
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline has a molecular weight of 277.29 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 103409295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).