[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine

C12H16F2N2O — CID 63051426

IUPAC[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1COCCN1c1c(F)cc(CN)cc1F
InChIInChI=1S/C12H16F2N2O/c1-8-7-17-3-2-16(8)12-10(13)4-9(6-15)5-11(12)14/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyNJKHUJBOABEHIX-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.65
Rot. Bonds2

About [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine

[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine (PubChem CID 63051426) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine
PubChem CID63051426
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine
SMILESCC1COCCN1c1c(F)cc(CN)cc1F
InChIInChI=1S/C12H16F2N2O/c1-8-7-17-3-2-16(8)12-10(13)4-9(6-15)5-11(12)14/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyNJKHUJBOABEHIX-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine (CID 63051426) is [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine is CC1COCCN1c1c(F)cc(CN)cc1F.
What is the InChIKey of [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine?
The InChIKey is NJKHUJBOABEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-7-17-3-2-16(8)12-10(13)4-9(6-15)5-11(12)14/h4-5,8H,2-3,6-7,15H2,1H3.
What are the key properties of [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine?
[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine has a molecular weight of 242.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 63051426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).