2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol

C11H18N2O2 — CID 102794628

IUPAC2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
SMILESCc1cncc(CN(CCO)CCO)c1
InChIInChI=1S/C11H18N2O2/c1-10-6-11(8-12-7-10)9-13(2-4-14)3-5-15/h6-8,14-15H,2-5,9H2,1H3
InChIKeyKWXVDUOZJJMWQK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.18
Rot. Bonds6

About 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol

2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol (PubChem CID 102794628) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
PubChem CID102794628
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
SMILESCc1cncc(CN(CCO)CCO)c1
InChIInChI=1S/C11H18N2O2/c1-10-6-11(8-12-7-10)9-13(2-4-14)3-5-15/h6-8,14-15H,2-5,9H2,1H3
InChIKeyKWXVDUOZJJMWQK-UHFFFAOYSA-N
XLogP0.18
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102878811
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102877835
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 102878809
N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 102878934
2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
CID 115610793
N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine
CID 102878812
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
bromic acid;3-(bromomethyl)-5-methylpyridine
CID 159195329
N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide
CID 102881366
2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 102879133
2-[2-hydroxyethyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]ethanol
CID 111487772

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol (CID 102794628) is 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol is Cc1cncc(CN(CCO)CCO)c1.
What is the InChIKey of 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol?
The InChIKey is KWXVDUOZJJMWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10-6-11(8-12-7-10)9-13(2-4-14)3-5-15/h6-8,14-15H,2-5,9H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol?
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol has a molecular weight of 210.28 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol is sourced from PubChem (CID 102794628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).