4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

C15H22F3NO — CID 103025036

IUPAC4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)CC(C)(C)OC
InChIInChI=1S/C15H22F3NO/c1-14(2,20-4)10-13(19-3)9-11-6-5-7-12(8-11)15(16,17)18/h5-8,13,19H,9-10H2,1-4H3
InChIKeyRITQHQYVUWJMLS-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.65
Rot. Bonds6

About 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 103025036) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID103025036
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)CC(C)(C)OC
InChIInChI=1S/C15H22F3NO/c1-14(2,20-4)10-13(19-3)9-11-6-5-7-12(8-11)15(16,17)18/h5-8,13,19H,9-10H2,1-4H3
InChIKeyRITQHQYVUWJMLS-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (CID 103025036) is 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is CNC(Cc1cccc(C(F)(F)F)c1)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is RITQHQYVUWJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-14(2,20-4)10-13(19-3)9-11-6-5-7-12(8-11)15(16,17)18/h5-8,13,19H,9-10H2,1-4H3.
What are the key properties of 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 103025036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).