3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline

C14H20F2N2O — CID 102742793

IUPAC3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
SMILESCC1(C)CN(c2c(N)ccc(F)c2F)CC(C)(C)O1
InChIInChI=1S/C14H20F2N2O/c1-13(2)7-18(8-14(3,4)19-13)12-10(17)6-5-9(15)11(12)16/h5-6H,7-8,17H2,1-4H3
InChIKeyKOWKYLXQFUTJRR-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.94
Rot. Bonds1

About 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline

3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline (PubChem CID 102742793) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
PubChem CID102742793
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
SMILESCC1(C)CN(c2c(N)ccc(F)c2F)CC(C)(C)O1
InChIInChI=1S/C14H20F2N2O/c1-13(2)7-18(8-14(3,4)19-13)12-10(17)6-5-9(15)11(12)16/h5-6H,7-8,17H2,1-4H3
InChIKeyKOWKYLXQFUTJRR-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-3,4-difluoroaniline
CID 62533316
2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 102742805
2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine
CID 102745010
3-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
CID 102745199
3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline
CID 55085974
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,4-difluoroaniline
CID 115558875
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317572
3,5-dichloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 106890868
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
3,4-difluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
CID 63168232
3,4-difluorobenzene-1,2-diamine
CID 2736753
3,4-difluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168405

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The IUPAC name of 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline (CID 102742793) is 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline.
What is the SMILES notation for 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The canonical SMILES for 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline is CC1(C)CN(c2c(N)ccc(F)c2F)CC(C)(C)O1.
What is the InChIKey of 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
The InChIKey is KOWKYLXQFUTJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-13(2)7-18(8-14(3,4)19-13)12-10(17)6-5-9(15)11(12)16/h5-6H,7-8,17H2,1-4H3.
What are the key properties of 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline?
3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline has a molecular weight of 270.32 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline is sourced from PubChem (CID 102742793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).