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

C16H23FN2O2 — CID 81193938

IUPAC[4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C16H23FN2O2/c1-11-10-21-15(9-20)8-19(11)16-5-2-13(17)6-12(16)7-18-14-3-4-14/h2,5-6,11,14-15,18,20H,3-4,7-10H2,1H3
InChIKeyQPABGYYEBUPNLL-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.66
Rot. Bonds5

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

[4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81193938) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is [4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81193938
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name[4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C16H23FN2O2/c1-11-10-21-15(9-20)8-19(11)16-5-2-13(17)6-12(16)7-18-14-3-4-14/h2,5-6,11,14-15,18,20H,3-4,7-10H2,1H3
InChIKeyQPABGYYEBUPNLL-UHFFFAOYSA-N
XLogP1.66
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-[(cyclopropylamino)methyl]-4-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-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol (CID 81193938) is [4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1ccc(F)cc1CNC1CC1.
What is the InChIKey of [4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is QPABGYYEBUPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11-10-21-15(9-20)8-19(11)16-5-2-13(17)6-12(16)7-18-14-3-4-14/h2,5-6,11,14-15,18,20H,3-4,7-10H2,1H3.
What are the key properties of [4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol?
[4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 294.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81193938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).