3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline

C12H16F2N2O — CID 79171790

IUPAC3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H16F2N2O/c1-16-2-3-17-12(8-16)7-15-11-5-9(13)4-10(14)6-11/h4-6,12,15H,2-3,7-8H2,1H3
InChIKeyUVUTYAMKUHYZDQ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.71
Rot. Bonds3

About 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline

3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 79171790) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID79171790
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H16F2N2O/c1-16-2-3-17-12(8-16)7-15-11-5-9(13)4-10(14)6-11/h4-6,12,15H,2-3,7-8H2,1H3
InChIKeyUVUTYAMKUHYZDQ-UHFFFAOYSA-N
XLogP1.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172288
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561
2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 115367637
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
3-ethynyl-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172463
3-(methoxymethyl)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171120
4-bromo-5-fluoro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,2-diamine
CID 79083379

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 79171790) is 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline is CN1CCOC(CNc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is UVUTYAMKUHYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-16-2-3-17-12(8-16)7-15-11-5-9(13)4-10(14)6-11/h4-6,12,15H,2-3,7-8H2,1H3.
What are the key properties of 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 242.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79171790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).