2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline

C12H15BrF2N2O — CID 79172288

IUPAC2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C12H15BrF2N2O/c1-17-2-3-18-9(7-17)6-16-12-10(13)4-8(14)5-11(12)15/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyHOQRMTHXDGGCEQ-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.47
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline

2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 79172288) has the molecular formula C12H15BrF2N2O and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID79172288
Molecular FormulaC12H15BrF2N2O
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2c(F)cc(F)cc2Br)C1
InChIInChI=1S/C12H15BrF2N2O/c1-17-2-3-18-9(7-17)6-16-12-10(13)4-8(14)5-11(12)15/h4-5,9,16H,2-3,6-7H2,1H3
InChIKeyHOQRMTHXDGGCEQ-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
4-bromo-5-fluoro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,2-diamine
CID 79083379
2-bromo-4,6-difluoro-N-(oxan-4-ylmethyl)aniline
CID 62384569
N-[(2-bromo-4-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758037
1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 103901638
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 115367637
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 116528706
3-fluoro-4-methoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172561

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 79172288) is 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline is CN1CCOC(CNc2c(F)cc(F)cc2Br)C1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is HOQRMTHXDGGCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O/c1-17-2-3-18-9(7-17)6-16-12-10(13)4-8(14)5-11(12)15/h4-5,9,16H,2-3,6-7H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 321.17 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79172288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).