1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

C14H18F3NO2 — CID 65352414

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)C1COCCO1
InChIInChI=1S/C14H18F3NO2/c1-18-12(13-9-19-5-6-20-13)8-10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13,18H,5-6,8-9H2,1H3
InChIKeyMCCUKJBVWAHBTK-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.25
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65352414) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID65352414
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)C1COCCO1
InChIInChI=1S/C14H18F3NO2/c1-18-12(13-9-19-5-6-20-13)8-10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13,18H,5-6,8-9H2,1H3
InChIKeyMCCUKJBVWAHBTK-UHFFFAOYSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxan-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 65352933
2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 65352577
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
1-(1,4-oxathian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79962815
1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115830875
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 65352414) is 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1cccc(C(F)(F)F)c1)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MCCUKJBVWAHBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-18-12(13-9-19-5-6-20-13)8-10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12-13,18H,5-6,8-9H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 289.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65352414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).