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

C13H18F3NO3 — CID 103409328

IUPACN-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline
SMILESCOCCOCCCNc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-18-9-10-19-8-4-7-17-11-5-2-3-6-12(11)20-13(14,15)16/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeyKVUNNBUGSZYKRQ-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.05
Rot. Bonds9

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

N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline (PubChem CID 103409328) has the molecular formula C13H18F3NO3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline
PubChem CID103409328
Molecular FormulaC13H18F3NO3
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline
SMILESCOCCOCCCNc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO3/c1-18-9-10-19-8-4-7-17-11-5-2-3-6-12(11)20-13(14,15)16/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeyKVUNNBUGSZYKRQ-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-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
CID 103409365
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfanylaniline
CID 107644761
N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
N-(3-methoxypropyl)-2-phenoxyaniline
CID 54935925
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
N-(2-tert-butylsulfonylethyl)-2-(trifluoromethoxy)aniline
CID 106723035
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(trifluoromethyl)aniline
CID 103409498
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
4-fluoro-2-iodo-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409573

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline (CID 103409328) is N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline is COCCOCCCNc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline?
The InChIKey is KVUNNBUGSZYKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-18-9-10-19-8-4-7-17-11-5-2-3-6-12(11)20-13(14,15)16/h2-3,5-6,17H,4,7-10H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline?
N-[3-(2-methoxyethoxy)propyl]-2-(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]-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 103409328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).