N-benzyl-5-bromo-N-ethylpyridin-2-amine

C14H15BrN2 — CID 44820571

IUPACN-benzyl-5-bromo-N-ethylpyridin-2-amine
SMILESCCN(Cc1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2/c1-2-17(11-12-6-4-3-5-7-12)14-9-8-13(15)10-16-14/h3-10H,2,11H2,1H3
InChIKeyDEWZPKYMXDGZTB-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.87
Rot. Bonds4

About N-benzyl-5-bromo-N-ethylpyridin-2-amine

N-benzyl-5-bromo-N-ethylpyridin-2-amine (PubChem CID 44820571) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-benzyl-5-bromo-N-ethylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-bromo-N-ethylpyridin-2-amine
PubChem CID44820571
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-benzyl-5-bromo-N-ethylpyridin-2-amine
SMILESCCN(Cc1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2/c1-2-17(11-12-6-4-3-5-7-12)14-9-8-13(15)10-16-14/h3-10H,2,11H2,1H3
InChIKeyDEWZPKYMXDGZTB-UHFFFAOYSA-N
XLogP3.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-N-ethylpyridin-2-amine?
The IUPAC name of N-benzyl-5-bromo-N-ethylpyridin-2-amine (CID 44820571) is N-benzyl-5-bromo-N-ethylpyridin-2-amine.
What is the SMILES notation for N-benzyl-5-bromo-N-ethylpyridin-2-amine?
The canonical SMILES for N-benzyl-5-bromo-N-ethylpyridin-2-amine is CCN(Cc1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of N-benzyl-5-bromo-N-ethylpyridin-2-amine?
The InChIKey is DEWZPKYMXDGZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-2-17(11-12-6-4-3-5-7-12)14-9-8-13(15)10-16-14/h3-10H,2,11H2,1H3.
What are the key properties of N-benzyl-5-bromo-N-ethylpyridin-2-amine?
N-benzyl-5-bromo-N-ethylpyridin-2-amine has a molecular weight of 291.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-N-ethylpyridin-2-amine is sourced from PubChem (CID 44820571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).