methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium

C17H19F3NO+ — CID 15940193

IUPACmethyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
SMILESC[NH2+]CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1
InChIKeyRTHCYVBBDHJXIQ-UHFFFAOYSA-O
MW310.34 g/mol
LogP3.41
Rot. Bonds6

About methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium

methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium (PubChem CID 15940193) has the molecular formula C17H19F3NO+ and a molecular weight of 310.34 g/mol. Its IUPAC name is methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium.

Molecular Properties

Compound Namemethyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
PubChem CID15940193
Molecular FormulaC17H19F3NO+
Molecular Weight310.34 g/mol
Exact Mass310.14
IUPAC Namemethyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
SMILESC[NH2+]CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1
InChIKeyRTHCYVBBDHJXIQ-UHFFFAOYSA-O
XLogP3.41
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene
CID 67613693
N-chloro-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54285023
N-hydroxy-3-[[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]propanamide
CID 175586540
1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
CID 11130099
N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]azanium chloride
CID 67944421
2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
CID 22679172

Frequently Asked Questions

What is the IUPAC name of methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium?
The IUPAC name of methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium (CID 15940193) is methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium.
What is the SMILES notation for methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium?
The canonical SMILES for methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium is C[NH2+]CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium?
The InChIKey is RTHCYVBBDHJXIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1.
What are the key properties of methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium?
methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium has a molecular weight of 310.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium is sourced from PubChem (CID 15940193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).