N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine

C15H22F3NO — CID 103026172

IUPACN-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(CC(C)(C)OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-5-19-13(10-14(2,3)20-4)11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,5,10H2,1-4H3
InChIKeyVSCJOVPAXGQIBO-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds6

About N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 103026172) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID103026172
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(CC(C)(C)OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-5-19-13(10-14(2,3)20-4)11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,5,10H2,1-4H3
InChIKeyVSCJOVPAXGQIBO-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine (CID 103026172) is N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine is CCNC(CC(C)(C)OC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is VSCJOVPAXGQIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-5-19-13(10-14(2,3)20-4)11-6-8-12(9-7-11)15(16,17)18/h6-9,13,19H,5,10H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 103026172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).