N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine

C23H23BrCl2N2 — CID 68884813

IUPACN-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C23H23BrCl2N2/c1-4-28(5-2)14-22-15(3)12-20(19-11-10-18(25)13-21(19)26)23(27-22)16-6-8-17(24)9-7-16/h6-13H,4-5,14H2,1-3H3
InChIKeyRKSZMBXRYSZBTH-UHFFFAOYSA-N
MW478.26 g/mol
LogP7.64
Rot. Bonds6

About N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine

N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine (PubChem CID 68884813) has the molecular formula C23H23BrCl2N2 and a molecular weight of 478.26 g/mol. Its IUPAC name is N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine
PubChem CID68884813
Molecular FormulaC23H23BrCl2N2
Molecular Weight478.26 g/mol
Exact Mass476.04
IUPAC NameN-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C23H23BrCl2N2/c1-4-28(5-2)14-22-15(3)12-20(19-11-10-18(25)13-21(19)26)23(27-22)16-6-8-17(24)9-7-16/h6-13H,4-5,14H2,1-3H3
InChIKeyRKSZMBXRYSZBTH-UHFFFAOYSA-N
XLogP7.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.26
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine (CID 68884813) is N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine is CCN(CC)Cc1nc(-c2ccc(Br)cc2)c(-c2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine?
The InChIKey is RKSZMBXRYSZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrCl2N2/c1-4-28(5-2)14-22-15(3)12-20(19-11-10-18(25)13-21(19)26)23(27-22)16-6-8-17(24)9-7-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine?
N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine has a molecular weight of 478.26 g/mol, XLogP of 7.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-3-methyl-2-pyridinyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 68884813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).