2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol

C15H16Cl2N2O — CID 62890775

IUPAC2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c16-13-6-7-15(17)18-14(13)11-19(8-9-20)10-12-4-2-1-3-5-12/h1-7,20H,8-11H2
InChIKeyIXKFJSLZABPNCU-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.38
Rot. Bonds6

About 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol

2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol (PubChem CID 62890775) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
PubChem CID62890775
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c16-13-6-7-15(17)18-14(13)11-19(8-9-20)10-12-4-2-1-3-5-12/h1-7,20H,8-11H2
InChIKeyIXKFJSLZABPNCU-UHFFFAOYSA-N
XLogP3.38
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol
CID 62892350
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
CID 103881517
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62891299
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline
CID 62891798
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
2-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 42287027
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol (CID 62890775) is 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1nc(Cl)ccc1Cl.
What is the InChIKey of 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol?
The InChIKey is IXKFJSLZABPNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c16-13-6-7-15(17)18-14(13)11-19(8-9-20)10-12-4-2-1-3-5-12/h1-7,20H,8-11H2.
What are the key properties of 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol?
2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol has a molecular weight of 311.21 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol is sourced from PubChem (CID 62890775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).