4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

C14H20F3NO — CID 103025035

IUPAC4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,19-3)9-12(18)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12H,8-9,18H2,1-3H3
InChIKeyLWHQHBPXVTXBFA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.39
Rot. Bonds5

About 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 103025035) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID103025035
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,19-3)9-12(18)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12H,8-9,18H2,1-3H3
InChIKeyLWHQHBPXVTXBFA-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (CID 103025035) is 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is COC(C)(C)CC(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is LWHQHBPXVTXBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(2,19-3)9-12(18)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12H,8-9,18H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 103025035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).