2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol

C14H15Cl2N3O — CID 102757794

IUPAC2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
SMILESNc1nc(N(CCO)Cc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c15-11-8-12(16)14(18-13(11)17)19(6-7-20)9-10-4-2-1-3-5-10/h1-5,8,20H,6-7,9H2,(H2,17,18)
InChIKeyPVGLPELYPCIXAZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.97
Rot. Bonds5

About 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol

2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol (PubChem CID 102757794) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
PubChem CID102757794
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
SMILESNc1nc(N(CCO)Cc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c15-11-8-12(16)14(18-13(11)17)19(6-7-20)9-10-4-2-1-3-5-10/h1-5,8,20H,6-7,9H2,(H2,17,18)
InChIKeyPVGLPELYPCIXAZ-UHFFFAOYSA-N
XLogP2.97
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
CID 80984868
2-(2-amino-N-benzyl-5-chloroanilino)ethanol
CID 115468874
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol
CID 80796932
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524
2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol
CID 62892350
2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 63727847
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol
CID 80822214
2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
CID 62890775
2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
CID 79826901
2-[benzyl-(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80908270
4-[benzyl(2-hydroxyethyl)amino]-3-chlorobenzonitrile
CID 63092619

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol?
The IUPAC name of 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol (CID 102757794) is 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol?
The canonical SMILES for 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol is Nc1nc(N(CCO)Cc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol?
The InChIKey is PVGLPELYPCIXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-11-8-12(16)14(18-13(11)17)19(6-7-20)9-10-4-2-1-3-5-10/h1-5,8,20H,6-7,9H2,(H2,17,18).
What are the key properties of 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol?
2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol has a molecular weight of 312.20 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol is sourced from PubChem (CID 102757794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).