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

C15H28F3NO — CID 105185029

IUPACN-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESCCNC(C(C)CCOC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H28F3NO/c1-4-19-14(11(2)9-10-20-3)12-5-7-13(8-6-12)15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyZIFSOJJEDFUNKI-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.01
Rot. Bonds7

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

N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine (PubChem CID 105185029) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
PubChem CID105185029
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine
SMILESCCNC(C(C)CCOC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H28F3NO/c1-4-19-14(11(2)9-10-20-3)12-5-7-13(8-6-12)15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyZIFSOJJEDFUNKI-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105338042
[1-(4-butylcyclohexyl)-4-methoxy-2-methylbutyl]hydrazine
CID 105337858
N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105176328
N-ethyl-2-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 104988154
N-[oxan-4-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105147187
N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine
CID 103312319
[1-(4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutyl]hydrazine
CID 105231613
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105044293
N-ethyl-5-methoxy-3-methylpentan-2-amine
CID 60995312
[2-methyl-1-[4-(trifluoromethyl)cyclohexyl]propyl]hydrazine
CID 105281756
N-ethyl-2-methoxy-1-(4-methylcyclohexyl)propan-1-amine
CID 79616589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine (CID 105185029) is N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine is CCNC(C(C)CCOC)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine?
The InChIKey is ZIFSOJJEDFUNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-19-14(11(2)9-10-20-3)12-5-7-13(8-6-12)15(16,17)18/h11-14,19H,4-10H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine?
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.01, 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)cyclohexyl]butan-1-amine is sourced from PubChem (CID 105185029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).