2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine

C13H18F2N2O — CID 82922361

IUPAC2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCN1CCOC(C(N)Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H18F2N2O/c1-17-4-5-18-13(8-17)12(16)7-9-2-3-10(14)11(15)6-9/h2-3,6,12-13H,4-5,7-8,16H2,1H3
InChIKeyQGMZHHXYBXCAHM-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.17
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine

2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine (PubChem CID 82922361) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
PubChem CID82922361
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCN1CCOC(C(N)Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H18F2N2O/c1-17-4-5-18-13(8-17)12(16)7-9-2-3-10(14)11(15)6-9/h2-3,6,12-13H,4-5,7-8,16H2,1H3
InChIKeyQGMZHHXYBXCAHM-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922459
2-(3-bromo-4-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663557
2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 114012662
2-(furan-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 83183147
1-(4-methylmorpholin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79093432
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
2-(4-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79666279
2-(3,4-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 82919753
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79094980
[2-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 105244565
1-(4-methylmorpholin-2-yl)-2-naphthalen-1-ylethanamine
CID 79093323
1-(4-ethylmorpholin-2-yl)-2-(3-fluorophenyl)ethanamine
CID 79666865

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine (CID 82922361) is 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine is CN1CCOC(C(N)Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine?
The InChIKey is QGMZHHXYBXCAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-17-4-5-18-13(8-17)12(16)7-9-2-3-10(14)11(15)6-9/h2-3,6,12-13H,4-5,7-8,16H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine?
2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine has a molecular weight of 256.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 82922361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).