N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

C15H20F3NO2 — CID 115843431

IUPACN-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)C1OCCC1C
InChIInChI=1S/C15H20F3NO2/c1-10-7-8-20-14(10)13(19-2)9-11-3-5-12(6-4-11)21-15(16,17)18/h3-6,10,13-14,19H,7-9H2,1-2H3
InChIKeyZQTLQXXQERVMES-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.14
Rot. Bonds5

About N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine

N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 115843431) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID115843431
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)C1OCCC1C
InChIInChI=1S/C15H20F3NO2/c1-10-7-8-20-14(10)13(19-2)9-11-3-5-12(6-4-11)21-15(16,17)18/h3-6,10,13-14,19H,7-9H2,1-2H3
InChIKeyZQTLQXXQERVMES-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 65331754
2-(3-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115795640
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105014570
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
2-(furan-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105029302
N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 65421078
1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787220
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine (CID 115843431) is N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is CNC(Cc1ccc(OC(F)(F)F)cc1)C1OCCC1C.
What is the InChIKey of N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is ZQTLQXXQERVMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10-7-8-20-14(10)13(19-2)9-11-3-5-12(6-4-11)21-15(16,17)18/h3-6,10,13-14,19H,7-9H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine?
N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 303.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115843431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).