[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol

C14H21FN2O2 — CID 81204825

IUPAC[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol
SMILESCC(N)c1ccc(N2CC(CO)OCC2C)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-9-8-19-12(7-18)6-17(9)14-4-3-11(10(2)16)5-13(14)15/h3-5,9-10,12,18H,6-8,16H2,1-2H3
InChIKeyACVPOOWJZHKWFB-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.43
Rot. Bonds3

About [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol

[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81204825) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81204825
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol
SMILESCC(N)c1ccc(N2CC(CO)OCC2C)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-9-8-19-12(7-18)6-17(9)14-4-3-11(10(2)16)5-13(14)15/h3-5,9-10,12,18H,6-8,16H2,1-2H3
InChIKeyACVPOOWJZHKWFB-UHFFFAOYSA-N
XLogP1.43
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[4-(1-aminoethyl)-2-fluorophenyl]-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

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol (CID 81204825) is [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol is CC(N)c1ccc(N2CC(CO)OCC2C)c(F)c1.
What is the InChIKey of [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is ACVPOOWJZHKWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9-8-19-12(7-18)6-17(9)14-4-3-11(10(2)16)5-13(14)15/h3-5,9-10,12,18H,6-8,16H2,1-2H3.
What are the key properties of [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol?
[4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 268.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1-aminoethyl)-2-fluorophenyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81204825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).