[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol

C13H19FN2O2 — CID 81206386

IUPAC[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1c(N)cccc1F
InChIInChI=1S/C13H19FN2O2/c1-9-8-18-10(7-17)5-16(9)6-11-12(14)3-2-4-13(11)15/h2-4,9-10,17H,5-8,15H2,1H3
InChIKeyLQOWTWYEDZYLDT-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.99
Rot. Bonds3

About [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol

[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81206386) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81206386
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1c(N)cccc1F
InChIInChI=1S/C13H19FN2O2/c1-9-8-18-10(7-17)5-16(9)6-11-12(14)3-2-4-13(11)15/h2-4,9-10,17H,5-8,15H2,1H3
InChIKeyLQOWTWYEDZYLDT-UHFFFAOYSA-N
XLogP0.99
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 75440057
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 86781915
[5-methyl-4-(1,2-oxazol-5-ylmethyl)morpholin-2-yl]methanol
CID 81219706
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
(2-amino-3-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212668
N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81193569
[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
CID 97153592
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol
CID 115997195

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 81206386) is [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1c(N)cccc1F.
What is the InChIKey of [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is LQOWTWYEDZYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-8-18-10(7-17)5-16(9)6-11-12(14)3-2-4-13(11)15/h2-4,9-10,17H,5-8,15H2,1H3.
What are the key properties of [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 254.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81206386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).