2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol

C22H25N3O2 — CID 46992581

IUPAC2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol
SMILESCCOc1cccc(CN(CCO)Cc2ccc(-c3cncnc3)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-2-27-22-5-3-4-19(12-22)16-25(10-11-26)15-18-6-8-20(9-7-18)21-13-23-17-24-14-21/h3-9,12-14,17,26H,2,10-11,15-16H2,1H3
InChIKeyAADYVLHVZIQAKB-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.54
Rot. Bonds9

About 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol

2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol (PubChem CID 46992581) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol
PubChem CID46992581
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol
SMILESCCOc1cccc(CN(CCO)Cc2ccc(-c3cncnc3)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-2-27-22-5-3-4-19(12-22)16-25(10-11-26)15-18-6-8-20(9-7-18)21-13-23-17-24-14-21/h3-9,12-14,17,26H,2,10-11,15-16H2,1H3
InChIKeyAADYVLHVZIQAKB-UHFFFAOYSA-N
XLogP3.54
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol (CID 46992581) is 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol is CCOc1cccc(CN(CCO)Cc2ccc(-c3cncnc3)cc2)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol?
The InChIKey is AADYVLHVZIQAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-27-22-5-3-4-19(12-22)16-25(10-11-26)15-18-6-8-20(9-7-18)21-13-23-17-24-14-21/h3-9,12-14,17,26H,2,10-11,15-16H2,1H3.
What are the key properties of 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol?
2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol has a molecular weight of 363.46 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 46992581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).