2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

C15H22F3NO — CID 116760777

IUPAC2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(CC)(OC)C(NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-5-14(6-2,20-4)13(19-3)11-9-7-8-10-12(11)15(16,17)18/h7-10,13,19H,5-6H2,1-4H3
InChIKeyXPGQORCSRHUNPF-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds6

About 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine

2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 116760777) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID116760777
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC(CC)(OC)C(NC)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-5-14(6-2,20-4)13(19-3)11-9-7-8-10-12(11)15(16,17)18/h7-10,13,19H,5-6H2,1-4H3
InChIKeyXPGQORCSRHUNPF-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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Related Compounds

N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853824
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760823
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
N,3,3-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 63890866
1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116810817
2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 116761004
N-[2,2,2-trifluoro-1-[2-(trifluoromethyl)phenyl]ethyl]ethanesulfonamide
CID 75518583
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine (CID 116760777) is 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is CCC(CC)(OC)C(NC)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is XPGQORCSRHUNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-5-14(6-2,20-4)13(19-3)11-9-7-8-10-12(11)15(16,17)18/h7-10,13,19H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine?
2-ethyl-2-methoxy-N-methyl-1-[2-(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 2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 116760777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).