N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline

C15H16Cl2N2 — CID 63481554

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1nc(Cl)ccc1Cl)c1ccccc1C
InChIInChI=1S/C15H16Cl2N2/c1-3-19(14-7-5-4-6-11(14)2)10-13-12(16)8-9-15(17)18-13/h4-9H,3,10H2,1-2H3
InChIKeyRGIUEVGTFPAWTD-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.72
Rot. Bonds4

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline

N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline (PubChem CID 63481554) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline
PubChem CID63481554
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline
SMILESCCN(Cc1nc(Cl)ccc1Cl)c1ccccc1C
InChIInChI=1S/C15H16Cl2N2/c1-3-19(14-7-5-4-6-11(14)2)10-13-12(16)8-9-15(17)18-13/h4-9H,3,10H2,1-2H3
InChIKeyRGIUEVGTFPAWTD-UHFFFAOYSA-N
XLogP4.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline (CID 63481554) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline is CCN(Cc1nc(Cl)ccc1Cl)c1ccccc1C.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline?
The InChIKey is RGIUEVGTFPAWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-3-19(14-7-5-4-6-11(14)2)10-13-12(16)8-9-15(17)18-13/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline has a molecular weight of 295.21 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline is sourced from PubChem (CID 63481554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).