2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine

C13H18F2N2O — CID 63783744

IUPAC2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1COCCN1c1c(F)cc(CCN)cc1F
InChIInChI=1S/C13H18F2N2O/c1-9-8-18-5-4-17(9)13-11(14)6-10(2-3-16)7-12(13)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyZJKBPVZSTACTBG-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.69
Rot. Bonds3

About 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine

2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 63783744) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine
PubChem CID63783744
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1COCCN1c1c(F)cc(CCN)cc1F
InChIInChI=1S/C13H18F2N2O/c1-9-8-18-5-4-17(9)13-11(14)6-10(2-3-16)7-12(13)15/h6-7,9H,2-5,8,16H2,1H3
InChIKeyZJKBPVZSTACTBG-UHFFFAOYSA-N
XLogP1.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine (CID 63783744) is 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine is CC1COCCN1c1c(F)cc(CCN)cc1F.
What is the InChIKey of 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is ZJKBPVZSTACTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9-8-18-5-4-17(9)13-11(14)6-10(2-3-16)7-12(13)15/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine?
2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 256.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 63783744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).