[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol

C15H23FN2O2 — CID 114776455

IUPAC[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2cc(F)ccc2CN)CC(CO)O1
InChIInChI=1S/C15H23FN2O2/c1-15(2)10-18(8-14(9-19)20-15)7-12-5-13(16)4-3-11(12)6-17/h3-5,14,19H,6-10,17H2,1-2H3
InChIKeyDEKVIDCAQBPFDM-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.26
Rot. Bonds4

About [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114776455) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114776455
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2cc(F)ccc2CN)CC(CO)O1
InChIInChI=1S/C15H23FN2O2/c1-15(2)10-18(8-14(9-19)20-15)7-12-5-13(16)4-3-11(12)6-17/h3-5,14,19H,6-10,17H2,1-2H3
InChIKeyDEKVIDCAQBPFDM-UHFFFAOYSA-N
XLogP1.26
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol with MolForge

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Related Compounds

[4-[(4-fluoro-2-methylphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779732
[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779730
[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776468
1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777430
[4-[(2,5-dimethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779927
[4-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 66393414
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 114776985
[4-[(5-amino-2-ethoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776400
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide
CID 114777120
[4-(2-aminoethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776413

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114776455) is [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(Cc2cc(F)ccc2CN)CC(CO)O1.
What is the InChIKey of [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is DEKVIDCAQBPFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-15(2)10-18(8-14(9-19)20-15)7-12-5-13(16)4-3-11(12)6-17/h3-5,14,19H,6-10,17H2,1-2H3.
What are the key properties of [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 282.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114776455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).