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

C13H18F3NO3 — CID 103409365

IUPACN-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
SMILESCOCCOCCCNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-18-8-9-19-7-3-6-17-11-4-2-5-12(10-11)20-13(14,15)16/h2,4-5,10,17H,3,6-9H2,1H3
InChIKeyRUGXYUQRRABOAO-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.05
Rot. Bonds9

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

N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline (PubChem CID 103409365) has the molecular formula C13H18F3NO3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
PubChem CID103409365
Molecular FormulaC13H18F3NO3
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
SMILESCOCCOCCCNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO3/c1-18-8-9-19-7-3-6-17-11-4-2-5-12(10-11)20-13(14,15)16/h2,4-5,10,17H,3,6-9H2,1H3
InChIKeyRUGXYUQRRABOAO-UHFFFAOYSA-N
XLogP3.05
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-3-(trifluoromethoxy)aniline
CID 112701030
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline
CID 103409328
N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
CID 54935363
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine
CID 156823958
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 102927944
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-[2-(3-methoxypropoxy)ethyl]-3-(trifluoromethyl)aniline
CID 103178330

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline (CID 103409365) is N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline is COCCOCCCNc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline?
The InChIKey is RUGXYUQRRABOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-18-8-9-19-7-3-6-17-11-4-2-5-12(10-11)20-13(14,15)16/h2,4-5,10,17H,3,6-9H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline?
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline has a molecular weight of 293.28 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 103409365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).