N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride

C17H19ClF3NO — CID 23450930

IUPACN-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
SMILESCNCCC(Oc1ccccc1C(F)(F)F)c1ccccc1.Cl
InChIInChI=1S/C17H18F3NO.ClH/c1-21-12-11-15(13-7-3-2-4-8-13)22-16-10-6-5-9-14(16)17(18,19)20;/h2-10,15,21H,11-12H2,1H3;1H
InChIKeyFRNUQWVVHHHAGH-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.86
Rot. Bonds6

About N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride

N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride (PubChem CID 23450930) has the molecular formula C17H19ClF3NO and a molecular weight of 345.79 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
PubChem CID23450930
Molecular FormulaC17H19ClF3NO
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC NameN-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
SMILESCNCCC(Oc1ccccc1C(F)(F)F)c1ccccc1.Cl
InChIInChI=1S/C17H18F3NO.ClH/c1-21-12-11-15(13-7-3-2-4-8-13)22-16-10-6-5-9-14(16)17(18,19)20;/h2-10,15,21H,11-12H2,1H3;1H
InChIKeyFRNUQWVVHHHAGH-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride (CID 23450930) is N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride is CNCCC(Oc1ccccc1C(F)(F)F)c1ccccc1.Cl.
What is the InChIKey of N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride?
The InChIKey is FRNUQWVVHHHAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO.ClH/c1-21-12-11-15(13-7-3-2-4-8-13)22-16-10-6-5-9-14(16)17(18,19)20;/h2-10,15,21H,11-12H2,1H3;1H.
What are the key properties of N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride?
N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride has a molecular weight of 345.79 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride is sourced from PubChem (CID 23450930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).