N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline

C22H27F3N2O2 — CID 42867932

IUPACN,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline
SMILESCN(C)c1cccc(OC(CCN2CCOCC2)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H27F3N2O2/c1-26(2)19-7-4-8-20(16-19)29-21(9-10-27-11-13-28-14-12-27)17-5-3-6-18(15-17)22(23,24)25/h3-8,15-16,21H,9-14H2,1-2H3
InChIKeyVSUZSBBIWPAGHY-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.61
Rot. Bonds7

About N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline

N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline (PubChem CID 42867932) has the molecular formula C22H27F3N2O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline
PubChem CID42867932
Molecular FormulaC22H27F3N2O2
Molecular Weight408.46 g/mol
Exact Mass408.20
IUPAC NameN,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline
SMILESCN(C)c1cccc(OC(CCN2CCOCC2)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H27F3N2O2/c1-26(2)19-7-4-8-20(16-19)29-21(9-10-27-11-13-28-14-12-27)17-5-3-6-18(15-17)22(23,24)25/h3-8,15-16,21H,9-14H2,1-2H3
InChIKeyVSUZSBBIWPAGHY-UHFFFAOYSA-N
XLogP4.61
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
CID 42867737
1-[3-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 42867935
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
CID 42867823
4-[3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]propoxy]benzonitrile
CID 139975950
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
8-[3-(3,5-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975846
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline
CID 42867723
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117242900
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 97067662
8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975983

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline?
The IUPAC name of N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline (CID 42867932) is N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline is CN(C)c1cccc(OC(CCN2CCOCC2)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline?
The InChIKey is VSUZSBBIWPAGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2O2/c1-26(2)19-7-4-8-20(16-19)29-21(9-10-27-11-13-28-14-12-27)17-5-3-6-18(15-17)22(23,24)25/h3-8,15-16,21H,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline?
N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline has a molecular weight of 408.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline is sourced from PubChem (CID 42867932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).