1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine

C20H24F3NO — CID 70283976

IUPAC1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine
SMILESCCC(Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OC)N(C)C
InChIInChI=1S/C20H24F3NO/c1-5-18(24(2)3)13-16-12-15(8-11-19(16)25-4)14-6-9-17(10-7-14)20(21,22)23/h6-12,18H,5,13H2,1-4H3
InChIKeyRJISIERVOLOPGE-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.26
Rot. Bonds6

About 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine

1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine (PubChem CID 70283976) has the molecular formula C20H24F3NO and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine
PubChem CID70283976
Molecular FormulaC20H24F3NO
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine
SMILESCCC(Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OC)N(C)C
InChIInChI=1S/C20H24F3NO/c1-5-18(24(2)3)13-16-12-15(8-11-19(16)25-4)14-6-9-17(10-7-14)20(21,22)23/h6-12,18H,5,13H2,1-4H3
InChIKeyRJISIERVOLOPGE-UHFFFAOYSA-N
XLogP5.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine?
The IUPAC name of 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine (CID 70283976) is 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine?
The canonical SMILES for 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine is CCC(Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OC)N(C)C.
What is the InChIKey of 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine?
The InChIKey is RJISIERVOLOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO/c1-5-18(24(2)3)13-16-12-15(8-11-19(16)25-4)14-6-9-17(10-7-14)20(21,22)23/h6-12,18H,5,13H2,1-4H3.
What are the key properties of 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine?
1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine has a molecular weight of 351.41 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 70283976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).