N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline

C17H18F3NO — CID 15871812

IUPACN-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline
SMILESCN(CCCOc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-21(15-6-3-2-4-7-15)12-5-13-22-16-10-8-14(9-11-16)17(18,19)20/h2-4,6-11H,5,12-13H2,1H3
InChIKeyYAZRYJWPAQTLTK-UHFFFAOYSA-N
MW309.33 g/mol
LogP4.61
Rot. Bonds6

About N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline

N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline (PubChem CID 15871812) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline
PubChem CID15871812
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC NameN-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline
SMILESCN(CCCOc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-21(15-6-3-2-4-7-15)12-5-13-22-16-10-8-14(9-11-16)17(18,19)20/h2-4,6-11H,5,12-13H2,1H3
InChIKeyYAZRYJWPAQTLTK-UHFFFAOYSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate
CID 169013825
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
1-(2-phenylsulfanylethoxy)-4-(trifluoromethyl)benzene
CID 79403226
1-(4-phenoxybutyl)-4-(trifluoromethyl)benzene
CID 91038022
1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
CID 148798788
4-[3-(4-bromo-N-methylanilino)propoxy]benzoic acid
CID 14882909
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284
methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
CID 62650602
N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
CID 120857759
[4-[3-(N-methylanilino)propoxy]phenyl] 2-piperidin-1-ylacetate
CID 170073744

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline?
The IUPAC name of N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline (CID 15871812) is N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline.
What is the SMILES notation for N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline?
The canonical SMILES for N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline is CN(CCCOc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline?
The InChIKey is YAZRYJWPAQTLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-21(15-6-3-2-4-7-15)12-5-13-22-16-10-8-14(9-11-16)17(18,19)20/h2-4,6-11H,5,12-13H2,1H3.
What are the key properties of N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline?
N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline has a molecular weight of 309.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline is sourced from PubChem (CID 15871812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).