[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine

C13H16F4N2O — CID 114393433

IUPAC[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C13H16F4N2O/c14-11-4-9(3-10(5-11)13(15,16)17)7-19-1-2-20-12(6-18)8-19/h3-5,12H,1-2,6-8,18H2
InChIKeyVGYDJFIVAMAXAW-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.00
Rot. Bonds3

About [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine

[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine (PubChem CID 114393433) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
PubChem CID114393433
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C13H16F4N2O/c14-11-4-9(3-10(5-11)13(15,16)17)7-19-1-2-20-12(6-18)8-19/h3-5,12H,1-2,6-8,18H2
InChIKeyVGYDJFIVAMAXAW-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxylic acid
CID 115351310
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960042
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
[4-[[4-(difluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844386
(2S)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-(3-methylbenzimidazol-5-yl)morpholine
CID 178060033
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 103575425
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
[4-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]morpholin-2-yl]methanamine
CID 120844523
1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 118088070

Frequently Asked Questions

What is the IUPAC name of [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine (CID 114393433) is [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1.
What is the InChIKey of [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
The InChIKey is VGYDJFIVAMAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c14-11-4-9(3-10(5-11)13(15,16)17)7-19-1-2-20-12(6-18)8-19/h3-5,12H,1-2,6-8,18H2.
What are the key properties of [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine?
[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine has a molecular weight of 292.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114393433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).