N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine

C15H22F3NO2 — CID 116720263

IUPACN-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCNC(c1ccccc1OC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C15H22F3NO2/c1-5-19-13(14(20-4)10(2)3)11-8-6-7-9-12(11)21-15(16,17)18/h6-10,13-14,19H,5H2,1-4H3
InChIKeyJWXIECAKTAWWDH-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.91
Rot. Bonds7

About N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine

N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 116720263) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID116720263
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCNC(c1ccccc1OC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C15H22F3NO2/c1-5-19-13(14(20-4)10(2)3)11-8-6-7-9-12(11)21-15(16,17)18/h6-10,13-14,19H,5H2,1-4H3
InChIKeyJWXIECAKTAWWDH-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116719687
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720833
2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413
2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65133009
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116720357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine (CID 116720263) is N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine is CCNC(c1ccccc1OC(F)(F)F)C(OC)C(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is JWXIECAKTAWWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-5-19-13(14(20-4)10(2)3)11-8-6-7-9-12(11)21-15(16,17)18/h6-10,13-14,19H,5H2,1-4H3.
What are the key properties of N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 116720263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).