N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine

C20H23F4NO2 — CID 46873110

IUPACN-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C20H23F4NO2/c1-14(12-26-2)10-25-11-16-6-7-18(9-19(16)21)27-13-15-4-3-5-17(8-15)20(22,23)24/h3-9,14,25H,10-13H2,1-2H3
InChIKeyRPKMVHAWQZLRMN-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.80
Rot. Bonds9

About N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine

N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine (PubChem CID 46873110) has the molecular formula C20H23F4NO2 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
PubChem CID46873110
Molecular FormulaC20H23F4NO2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC NameN-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C20H23F4NO2/c1-14(12-26-2)10-25-11-16-6-7-18(9-19(16)21)27-13-15-4-3-5-17(8-15)20(22,23)24/h3-9,14,25H,10-13H2,1-2H3
InChIKeyRPKMVHAWQZLRMN-UHFFFAOYSA-N
XLogP4.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methylbutan-2-amine
CID 68760009
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N-[(2R)-butan-2-yl]-1-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxamide
CID 176930799
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
N-(3-methoxy-2-methylpropyl)-3-(trifluoromethyl)aniline
CID 116500690
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
CID 172506919
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
N-[(5-chloro-2-fluorophenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 115762111
4-chloro-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66089921
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine (CID 46873110) is N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine is COCC(C)CNCc1ccc(OCc2cccc(C(F)(F)F)c2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine?
The InChIKey is RPKMVHAWQZLRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4NO2/c1-14(12-26-2)10-25-11-16-6-7-18(9-19(16)21)27-13-15-4-3-5-17(8-15)20(22,23)24/h3-9,14,25H,10-13H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine?
N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine has a molecular weight of 385.40 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 46873110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).