1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine

C12H16F2N2O — CID 117110980

IUPAC1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine
SMILESCC(N)c1cc(F)c(F)cc1N1CCOCC1
InChIInChI=1S/C12H16F2N2O/c1-8(15)9-6-10(13)11(14)7-12(9)16-2-4-17-5-3-16/h6-8H,2-5,15H2,1H3
InChIKeyMAILKZYFZNKGPF-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.82
Rot. Bonds2

About 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine

1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine (PubChem CID 117110980) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine
PubChem CID117110980
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine
SMILESCC(N)c1cc(F)c(F)cc1N1CCOCC1
InChIInChI=1S/C12H16F2N2O/c1-8(15)9-6-10(13)11(14)7-12(9)16-2-4-17-5-3-16/h6-8H,2-5,15H2,1H3
InChIKeyMAILKZYFZNKGPF-UHFFFAOYSA-N
XLogP1.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine
CID 115113235
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
4-[3-(1-bromoethyl)-2,4,5-trifluorophenyl]morpholine
CID 174668122
1-[2-fluoro-6-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62974495
(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744273
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78930853
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 63795074
4-(4,5-difluoro-2-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 115112119
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
CID 117384370
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine?
The IUPAC name of 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine (CID 117110980) is 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine.
What is the SMILES notation for 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine?
The canonical SMILES for 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine is CC(N)c1cc(F)c(F)cc1N1CCOCC1.
What is the InChIKey of 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine?
The InChIKey is MAILKZYFZNKGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(15)9-6-10(13)11(14)7-12(9)16-2-4-17-5-3-16/h6-8H,2-5,15H2,1H3.
What are the key properties of 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine?
1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine has a molecular weight of 242.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine is sourced from PubChem (CID 117110980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).