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

C14H21FN2O2 — CID 81203885

IUPAC[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cc(F)ccc1CN
InChIInChI=1S/C14H21FN2O2/c1-10-9-19-14(8-18)7-17(10)6-12-4-13(15)3-2-11(12)5-16/h2-4,10,14,18H,5-9,16H2,1H3
InChIKeyQELWDRGHVDNHSQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.87
Rot. Bonds4

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

[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81203885) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81203885
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cc(F)ccc1CN
InChIInChI=1S/C14H21FN2O2/c1-10-9-19-14(8-18)7-17(10)6-12-4-13(15)3-2-11(12)5-16/h2-4,10,14,18H,5-9,16H2,1H3
InChIKeyQELWDRGHVDNHSQ-UHFFFAOYSA-N
XLogP0.87
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine
CID 81210281
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 86781915
3-chloro-4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 102666322
[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81219213
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81206386
4-[(4-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)-5-methylmorpholine
CID 114859370
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776455
[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81208434
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol (CID 81203885) is [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1cc(F)ccc1CN.
What is the InChIKey of [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is QELWDRGHVDNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10-9-19-14(8-18)7-17(10)6-12-4-13(15)3-2-11(12)5-16/h2-4,10,14,18H,5-9,16H2,1H3.
What are the key properties of [4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol?
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 268.33 g/mol, XLogP of 0.87, 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]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81203885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).