4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline

C13H16F4N2O — CID 79171600

IUPAC4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCN1CCOC(CNc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F4N2O/c1-19-4-5-20-10(8-19)7-18-9-2-3-12(14)11(6-9)13(15,16)17/h2-3,6,10,18H,4-5,7-8H2,1H3
InChIKeyJMFZOBVXGWBILQ-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.59
Rot. Bonds3

About 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline

4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 79171600) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
PubChem CID79171600
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCN1CCOC(CNc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F4N2O/c1-19-4-5-20-10(8-19)7-18-9-2-3-12(14)11(6-9)13(15,16)17/h2-3,6,10,18H,4-5,7-8H2,1H3
InChIKeyJMFZOBVXGWBILQ-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561
2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 115367637
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
4-fluoro-N-(oxan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 61229201
3-ethynyl-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172463
2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120
2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172288
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79182835

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline (CID 79171600) is 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline is CN1CCOC(CNc2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is JMFZOBVXGWBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-19-4-5-20-10(8-19)7-18-9-2-3-12(14)11(6-9)13(15,16)17/h2-3,6,10,18H,4-5,7-8H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline?
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 292.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 79171600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).