[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol

C16H21FN2O2 — CID 81208434

IUPAC[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1ccc(F)c(C#CCN)c1
InChIInChI=1S/C16H21FN2O2/c1-12-11-21-15(10-20)9-19(12)8-13-4-5-16(17)14(7-13)3-2-6-18/h4-5,7,12,15,20H,6,8-11,18H2,1H3
InChIKeyGJWIHACUHLRPHW-UHFFFAOYSA-N
MW292.35 g/mol
LogP0.72
Rot. Bonds3

About [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol

[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81208434) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81208434
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1ccc(F)c(C#CCN)c1
InChIInChI=1S/C16H21FN2O2/c1-12-11-21-15(10-20)9-19(12)8-13-4-5-16(17)14(7-13)3-2-6-18/h4-5,7,12,15,20H,6,8-11,18H2,1H3
InChIKeyGJWIHACUHLRPHW-UHFFFAOYSA-N
XLogP0.72
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[[3-(3-aminoprop-1-ynyl)-4-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

[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81218645
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
1-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpiperidin-4-ol
CID 114681113
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208031
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzonitrile
CID 81203398
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81219213
4-[2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208141
[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81206386
[5-methyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81213298

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol (CID 81208434) is [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1ccc(F)c(C#CCN)c1.
What is the InChIKey of [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is GJWIHACUHLRPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12-11-21-15(10-20)9-19(12)8-13-4-5-16(17)14(7-13)3-2-6-18/h4-5,7,12,15,20H,6,8-11,18H2,1H3.
What are the key properties of [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol?
[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 292.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81208434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).