2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol

C14H22ClN3O2 — CID 71857408

IUPAC2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
SMILESOCCN(CCN1CCOCC1)Cc1ccncc1Cl
InChIInChI=1S/C14H22ClN3O2/c15-14-11-16-2-1-13(14)12-18(5-8-19)4-3-17-6-9-20-10-7-17/h1-2,11,19H,3-10,12H2
InChIKeyCENXBCQBBYVGDU-UHFFFAOYSA-N
MW299.80 g/mol
LogP0.86
Rot. Bonds7

About 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol

2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol (PubChem CID 71857408) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
PubChem CID71857408
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
SMILESOCCN(CCN1CCOCC1)Cc1ccncc1Cl
InChIInChI=1S/C14H22ClN3O2/c15-14-11-16-2-1-13(14)12-18(5-8-19)4-3-17-6-9-20-10-7-17/h1-2,11,19H,3-10,12H2
InChIKeyCENXBCQBBYVGDU-UHFFFAOYSA-N
XLogP0.86
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol (CID 71857408) is 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol is OCCN(CCN1CCOCC1)Cc1ccncc1Cl.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The InChIKey is CENXBCQBBYVGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c15-14-11-16-2-1-13(14)12-18(5-8-19)4-3-17-6-9-20-10-7-17/h1-2,11,19H,3-10,12H2.
What are the key properties of 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol has a molecular weight of 299.80 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol is sourced from PubChem (CID 71857408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).