5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine

C18H17BrN2 — CID 114870225

IUPAC5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
SMILESCCN(c1cc(C)c(Br)cn1)c1cccc2ccccc12
InChIInChI=1S/C18H17BrN2/c1-3-21(18-11-13(2)16(19)12-20-18)17-10-6-8-14-7-4-5-9-15(14)17/h4-12H,3H2,1-2H3
InChIKeyYIJGAAIMIYMFJC-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.46
Rot. Bonds3

About 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine

5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine (PubChem CID 114870225) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
PubChem CID114870225
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
SMILESCCN(c1cc(C)c(Br)cn1)c1cccc2ccccc12
InChIInChI=1S/C18H17BrN2/c1-3-21(18-11-13(2)16(19)12-20-18)17-10-6-8-14-7-4-5-9-15(14)17/h4-12H,3H2,1-2H3
InChIKeyYIJGAAIMIYMFJC-UHFFFAOYSA-N
XLogP5.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine (CID 114870225) is 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine is CCN(c1cc(C)c(Br)cn1)c1cccc2ccccc12.
What is the InChIKey of 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine?
The InChIKey is YIJGAAIMIYMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-3-21(18-11-13(2)16(19)12-20-18)17-10-6-8-14-7-4-5-9-15(14)17/h4-12H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine?
5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine has a molecular weight of 341.25 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine is sourced from PubChem (CID 114870225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).