3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C22H22F3NO2 — CID 159228228

IUPAC3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H22F3NO2/c1-26-12-11-21(28-19-9-6-18(7-10-19)22(23,24)25)17-4-3-16-14-20(27-2)8-5-15(16)13-17/h3-10,13-14,21,26H,11-12H2,1-2H3
InChIKeyAITWPHDGGKPXTL-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.60
Rot. Bonds7

About 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 159228228) has the molecular formula C22H22F3NO2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID159228228
Molecular FormulaC22H22F3NO2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H22F3NO2/c1-26-12-11-21(28-19-9-6-18(7-10-19)22(23,24)25)17-4-3-16-14-20(27-2)8-5-15(16)13-17/h3-10,13-14,21,26H,11-12H2,1-2H3
InChIKeyAITWPHDGGKPXTL-UHFFFAOYSA-N
XLogP5.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
(3R)-N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 57369117
(3S)-3-(4-fluorophenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 25016764
N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740
N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 70269561
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
N-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 24946498
1-(6-methoxynaphthalen-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891027
N-benzyl-3-(3,4-dimethoxyphenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;3-(3,4-dimethoxyphenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 173146406
(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
CID 69455400
N-chloro-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54285023

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 159228228) is 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is AITWPHDGGKPXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO2/c1-26-12-11-21(28-19-9-6-18(7-10-19)22(23,24)25)17-4-3-16-14-20(27-2)8-5-15(16)13-17/h3-10,13-14,21,26H,11-12H2,1-2H3.
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 389.42 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 159228228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).