N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C15H20F3NO — CID 115849284

IUPACN-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)C1CCCCO1
InChIInChI=1S/C15H20F3NO/c1-19-13(14-4-2-3-9-20-14)10-11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3
InChIKeyWTNIQYMPBKCHKN-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.40
Rot. Bonds4

About N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 115849284) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID115849284
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1ccc(C(F)(F)F)cc1)C1CCCCO1
InChIInChI=1S/C15H20F3NO/c1-19-13(14-4-2-3-9-20-14)10-11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3
InChIKeyWTNIQYMPBKCHKN-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866
2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 104992872
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
2-hydroxypropane-1,2,3-tricarboxylic acid;N-methyl-1-(oxolan-2-yl)-2-phenylethanamine
CID 139022406
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65352414
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 115849284) is N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1ccc(C(F)(F)F)cc1)C1CCCCO1.
What is the InChIKey of N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is WTNIQYMPBKCHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-19-13(14-4-2-3-9-20-14)10-11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3.
What are the key properties of N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 287.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 115849284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).