N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline

C13H16F3NO2 — CID 104762720

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCOC1(CNc2ccccc2C(F)(F)F)CCOC1
InChIInChI=1S/C13H16F3NO2/c1-18-12(6-7-19-9-12)8-17-11-5-3-2-4-10(11)13(14,15)16/h2-5,17H,6-9H2,1H3
InChIKeyXYRYVSVBDMALAF-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.92
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline

N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 104762720) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID104762720
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCOC1(CNc2ccccc2C(F)(F)F)CCOC1
InChIInChI=1S/C13H16F3NO2/c1-18-12(6-7-19-9-12)8-17-11-5-3-2-4-10(11)13(14,15)16/h2-5,17H,6-9H2,1H3
InChIKeyXYRYVSVBDMALAF-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 104762729
4-[(4-methoxyoxan-4-yl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 133400079
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104705614
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104705532
3-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carbothioamide
CID 104761872
4-methoxy-1-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,2-diamine
CID 104758953
6-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104762670
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565777
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102721097
N-[(3-methoxyoxolan-3-yl)methyl]-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)aniline
CID 167981629
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline (CID 104762720) is N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline is COC1(CNc2ccccc2C(F)(F)F)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is XYRYVSVBDMALAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-18-12(6-7-19-9-12)8-17-11-5-3-2-4-10(11)13(14,15)16/h2-5,17H,6-9H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 275.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 104762720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).