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

C12H16ClFN2O — CID 83107478

IUPAC3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H16ClFN2O/c1-16-4-5-17-10(8-16)7-15-9-2-3-12(14)11(13)6-9/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyFHDKNMJHVXIWBY-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.22
Rot. Bonds3

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

3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 83107478) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID83107478
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C12H16ClFN2O/c1-16-4-5-17-10(8-16)7-15-9-2-3-12(14)11(13)6-9/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyFHDKNMJHVXIWBY-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
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
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
1-(2,4-dichloro-5-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79083307
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
3-(chloromethyl)-4-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79182835
3-chloro-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62384448
3-ethynyl-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172463
1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145
2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 83107478) is 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline is CN1CCOC(CNc2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is FHDKNMJHVXIWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-16-4-5-17-10(8-16)7-15-9-2-3-12(14)11(13)6-9/h2-3,6,10,15H,4-5,7-8H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline?
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 258.72 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 83107478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).