4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine

C12H16F3NO — CID 62800982

IUPAC4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine
SMILESCOCCC(C)(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(16,7-8-17-2)9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyWSDOQSRXEGGQSQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.92
Rot. Bonds4

About 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine

4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 62800982) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID62800982
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine
SMILESCOCCC(C)(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(16,7-8-17-2)9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyWSDOQSRXEGGQSQ-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine (CID 62800982) is 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine is COCCC(C)(N)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is WSDOQSRXEGGQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(16,7-8-17-2)9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8,16H2,1-2H3.
What are the key properties of 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine?
4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 62800982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).