[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine

C13H18F2N2O — CID 114394882

IUPAC[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
SMILESCC(c1cc(F)ccc1F)N1CCOC(CN)C1
InChIInChI=1S/C13H18F2N2O/c1-9(12-6-10(14)2-3-13(12)15)17-4-5-18-11(7-16)8-17/h2-3,6,9,11H,4-5,7-8,16H2,1H3
InChIKeyMAICDQWFFWBSMA-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.69
Rot. Bonds3

About [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine

[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine (PubChem CID 114394882) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
PubChem CID114394882
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
SMILESCC(c1cc(F)ccc1F)N1CCOC(CN)C1
InChIInChI=1S/C13H18F2N2O/c1-9(12-6-10(14)2-3-13(12)15)17-4-5-18-11(7-16)8-17/h2-3,6,9,11H,4-5,7-8,16H2,1H3
InChIKeyMAICDQWFFWBSMA-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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Related Compounds

[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride
CID 85086626
2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435876
[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
CID 114397830
[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114079708
1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917481
[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758912
2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107700549
4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977201
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453
3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine
CID 69312368
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
2-(2-ethylmorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 43562409

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine (CID 114394882) is [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine is CC(c1cc(F)ccc1F)N1CCOC(CN)C1.
What is the InChIKey of [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine?
The InChIKey is MAICDQWFFWBSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9(12-6-10(14)2-3-13(12)15)17-4-5-18-11(7-16)8-17/h2-3,6,9,11H,4-5,7-8,16H2,1H3.
What are the key properties of [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine?
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine 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 [4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114394882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).