3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine

C18H23FN4O2 — CID 110113004

IUPAC3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1nccnc1C1CN(CCCOc2ccccc2F)CCO1
InChIInChI=1S/C18H23FN4O2/c1-20-18-17(21-7-8-22-18)16-13-23(10-12-25-16)9-4-11-24-15-6-3-2-5-14(15)19/h2-3,5-8,16H,4,9-13H2,1H3,(H,20,22)
InChIKeyAEXNZUSQBKGEDO-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.50
Rot. Bonds7

About 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine

3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine (PubChem CID 110113004) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine
PubChem CID110113004
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1nccnc1C1CN(CCCOc2ccccc2F)CCO1
InChIInChI=1S/C18H23FN4O2/c1-20-18-17(21-7-8-22-18)16-13-23(10-12-25-16)9-4-11-24-15-6-3-2-5-14(15)19/h2-3,5-8,16H,4,9-13H2,1H3,(H,20,22)
InChIKeyAEXNZUSQBKGEDO-UHFFFAOYSA-N
XLogP2.50
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine (CID 110113004) is 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine is CNc1nccnc1C1CN(CCCOc2ccccc2F)CCO1.
What is the InChIKey of 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine?
The InChIKey is AEXNZUSQBKGEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-20-18-17(21-7-8-22-18)16-13-23(10-12-25-16)9-4-11-24-15-6-3-2-5-14(15)19/h2-3,5-8,16H,4,9-13H2,1H3,(H,20,22).
What are the key properties of 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine?
3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine has a molecular weight of 346.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 110113004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).