N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine

C17H18F3NO3S — CID 18428719

IUPACN,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine
SMILESCN(C)Cc1cc(S(C)=O)ccc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO3S/c1-21(2)11-12-10-15(25(3)22)8-9-16(12)23-13-4-6-14(7-5-13)24-17(18,19)20/h4-10H,11H2,1-3H3
InChIKeyMVMJGKKDVMXRLL-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.18
Rot. Bonds6

About N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine

N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine (PubChem CID 18428719) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine
PubChem CID18428719
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC NameN,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine
SMILESCN(C)Cc1cc(S(C)=O)ccc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO3S/c1-21(2)11-12-10-15(25(3)22)8-9-16(12)23-13-4-6-14(7-5-13)24-17(18,19)20/h4-10H,11H2,1-3H3
InChIKeyMVMJGKKDVMXRLL-UHFFFAOYSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine (CID 18428719) is N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine is CN(C)Cc1cc(S(C)=O)ccc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine?
The InChIKey is MVMJGKKDVMXRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c1-21(2)11-12-10-15(25(3)22)8-9-16(12)23-13-4-6-14(7-5-13)24-17(18,19)20/h4-10H,11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine?
N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine has a molecular weight of 373.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-methylsulfinyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]methanamine is sourced from PubChem (CID 18428719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).