4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol

C13H19ClN2O2 — CID 114948813

IUPAC4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1cccc(Cl)n1)CC1(O)CCOCC1
InChIInChI=1S/C13H19ClN2O2/c1-16(9-11-3-2-4-12(14)15-11)10-13(17)5-7-18-8-6-13/h2-4,17H,5-10H2,1H3
InChIKeyNXYRFGKQXONAOJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.71
Rot. Bonds4

About 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114948813) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID114948813
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1cccc(Cl)n1)CC1(O)CCOCC1
InChIInChI=1S/C13H19ClN2O2/c1-16(9-11-3-2-4-12(14)15-11)10-13(17)5-7-18-8-6-13/h2-4,17H,5-10H2,1H3
InChIKeyNXYRFGKQXONAOJ-UHFFFAOYSA-N
XLogP1.71
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
CID 114952911
1-[[methyl(quinolin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 115758417
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746890
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol (CID 114948813) is 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol is CN(Cc1cccc(Cl)n1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is NXYRFGKQXONAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16(9-11-3-2-4-12(14)15-11)10-13(17)5-7-18-8-6-13/h2-4,17H,5-10H2,1H3.
What are the key properties of 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 270.76 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).