2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine

C25H24N2O2 — CID 174937811

IUPAC2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine
SMILESC(#Cc1cccnc1)c1ccc(OCc2ccc(CC3CNCCO3)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-2-22(17-26-13-1)6-3-20-9-11-24(12-10-20)29-19-23-7-4-21(5-8-23)16-25-18-27-14-15-28-25/h1-2,4-5,7-13,17,25,27H,14-16,18-19H2
InChIKeyQOLVLHSDILFFHN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.59
Rot. Bonds5

About 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine

2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine (PubChem CID 174937811) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine
PubChem CID174937811
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine
SMILESC(#Cc1cccnc1)c1ccc(OCc2ccc(CC3CNCCO3)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-2-22(17-26-13-1)6-3-20-9-11-24(12-10-20)29-19-23-7-4-21(5-8-23)16-25-18-27-14-15-28-25/h1-2,4-5,7-13,17,25,27H,14-16,18-19H2
InChIKeyQOLVLHSDILFFHN-UHFFFAOYSA-N
XLogP3.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]morpholine
CID 66730468
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(2-pyridin-3-ylphenyl)methyl]morpholine
CID 173109639
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
2-morpholin-2-yl-8-(pyridin-3-ylmethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 22263554
2-morpholin-2-yl-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669321
N-cyclopropyl-2-morpholin-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 66428274
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
2-[4-(morpholin-2-ylmethoxy)phenyl]ethanol;hydrochloride
CID 90230019

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine?
The IUPAC name of 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine (CID 174937811) is 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine.
What is the SMILES notation for 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine?
The canonical SMILES for 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine is C(#Cc1cccnc1)c1ccc(OCc2ccc(CC3CNCCO3)cc2)cc1.
What is the InChIKey of 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine?
The InChIKey is QOLVLHSDILFFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-22(17-26-13-1)6-3-20-9-11-24(12-10-20)29-19-23-7-4-21(5-8-23)16-25-18-27-14-15-28-25/h1-2,4-5,7-13,17,25,27H,14-16,18-19H2.
What are the key properties of 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine?
2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine has a molecular weight of 384.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-(2-pyridin-3-ylethynyl)phenoxy]methyl]phenyl]methyl]morpholine is sourced from PubChem (CID 174937811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).