5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine

C15H16BrClN2 — CID 65486119

IUPAC5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine
SMILESCN(CCc1ccccc1)c1ncc(Br)cc1CCl
InChIInChI=1S/C15H16BrClN2/c1-19(8-7-12-5-3-2-4-6-12)15-13(10-17)9-14(16)11-18-15/h2-6,9,11H,7-8,10H2,1H3
InChIKeyFKOKLHDTFGHITP-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.26
Rot. Bonds5

About 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine

5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 65486119) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine
PubChem CID65486119
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine
SMILESCN(CCc1ccccc1)c1ncc(Br)cc1CCl
InChIInChI=1S/C15H16BrClN2/c1-19(8-7-12-5-3-2-4-6-12)15-13(10-17)9-14(16)11-18-15/h2-6,9,11H,7-8,10H2,1H3
InChIKeyFKOKLHDTFGHITP-UHFFFAOYSA-N
XLogP4.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine (CID 65486119) is 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine is CN(CCc1ccccc1)c1ncc(Br)cc1CCl.
What is the InChIKey of 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is FKOKLHDTFGHITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-19(8-7-12-5-3-2-4-6-12)15-13(10-17)9-14(16)11-18-15/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine?
5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine has a molecular weight of 339.66 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-N-methyl-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 65486119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).