5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline

C12H16F2N2O — CID 112737469

IUPAC5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccc(C(F)F)cc2N)CCO1
InChIInChI=1S/C12H16F2N2O/c1-8-7-16(4-5-17-8)11-3-2-9(12(13)14)6-10(11)15/h2-3,6,8,12H,4-5,7,15H2,1H3
InChIKeyULIRYECESDXMNX-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.43
Rot. Bonds2

About 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline

5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline (PubChem CID 112737469) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline
PubChem CID112737469
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccc(C(F)F)cc2N)CCO1
InChIInChI=1S/C12H16F2N2O/c1-8-7-16(4-5-17-8)11-3-2-9(12(13)14)6-10(11)15/h2-3,6,8,12H,4-5,7,15H2,1H3
InChIKeyULIRYECESDXMNX-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline?
The IUPAC name of 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline (CID 112737469) is 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline.
What is the SMILES notation for 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline?
The canonical SMILES for 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline is CC1CN(c2ccc(C(F)F)cc2N)CCO1.
What is the InChIKey of 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline?
The InChIKey is ULIRYECESDXMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-7-16(4-5-17-8)11-3-2-9(12(13)14)6-10(11)15/h2-3,6,8,12H,4-5,7,15H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline?
5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline has a molecular weight of 242.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline is sourced from PubChem (CID 112737469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).