2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol

C15H17ClFN3O — CID 75430819

IUPAC2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(NCc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C15H17ClFN3O/c1-20(6-7-21)13-4-5-15(19-10-13)18-9-11-2-3-12(17)8-14(11)16/h2-5,8,10,21H,6-7,9H2,1H3,(H,18,19)
InChIKeyVCPMQSGLDYTQLA-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.91
Rot. Bonds6

About 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol

2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol (PubChem CID 75430819) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol
PubChem CID75430819
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(NCc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C15H17ClFN3O/c1-20(6-7-21)13-4-5-15(19-10-13)18-9-11-2-3-12(17)8-14(11)16/h2-5,8,10,21H,6-7,9H2,1H3,(H,18,19)
InChIKeyVCPMQSGLDYTQLA-UHFFFAOYSA-N
XLogP2.91
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol?
The IUPAC name of 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol (CID 75430819) is 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol is CN(CCO)c1ccc(NCc2ccc(F)cc2Cl)nc1.
What is the InChIKey of 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol?
The InChIKey is VCPMQSGLDYTQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-20(6-7-21)13-4-5-15(19-10-13)18-9-11-2-3-12(17)8-14(11)16/h2-5,8,10,21H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol?
2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol has a molecular weight of 309.77 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridinyl]-methylamino]ethanol is sourced from PubChem (CID 75430819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).