1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine

C22H25FN2O2 — CID 24964163

IUPAC1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(F)c1
InChIInChI=1S/C22H25FN2O2/c1-24-17-19-15-18(5-2-3-10-25-11-13-26-14-12-25)8-9-22(19)27-21-7-4-6-20(23)16-21/h4,6-9,15-16,24H,3,10-14,17H2,1H3
InChIKeySYDKBCVMFJSWKD-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.41
Rot. Bonds6

About 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine

1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine (PubChem CID 24964163) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
PubChem CID24964163
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(F)c1
InChIInChI=1S/C22H25FN2O2/c1-24-17-19-15-18(5-2-3-10-25-11-13-26-14-12-25)8-9-22(19)27-21-7-4-6-20(23)16-21/h4,6-9,15-16,24H,3,10-14,17H2,1H3
InChIKeySYDKBCVMFJSWKD-UHFFFAOYSA-N
XLogP3.41
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine (CID 24964163) is 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine is CNCc1cc(C#CCCN2CCOCC2)ccc1Oc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine?
The InChIKey is SYDKBCVMFJSWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-24-17-19-15-18(5-2-3-10-25-11-13-26-14-12-25)8-9-22(19)27-21-7-4-6-20(23)16-21/h4,6-9,15-16,24H,3,10-14,17H2,1H3.
What are the key properties of 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine?
1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine has a molecular weight of 368.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)-5-(4-morpholin-4-ylbut-1-ynyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 24964163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).