N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine

C15H22F3NO — CID 105044213

IUPACN-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)C(C)CCOC
InChIInChI=1S/C15H22F3NO/c1-4-19-14(11(2)9-10-20-3)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyGZYGZUJJKXECCB-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.03
Rot. Bonds7

About N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine

N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 105044213) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID105044213
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)C(C)CCOC
InChIInChI=1S/C15H22F3NO/c1-4-19-14(11(2)9-10-20-3)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyGZYGZUJJKXECCB-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 105044327
N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 79492862
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 116715723
N-ethyl-4-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 105185057
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine (CID 105044213) is N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine is CCNC(c1ccc(C(F)(F)F)cc1)C(C)CCOC.
What is the InChIKey of N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is GZYGZUJJKXECCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-19-14(11(2)9-10-20-3)12-5-7-13(8-6-12)15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 105044213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).