5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine

C15H16BrClN2 — CID 107083060

IUPAC5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc(CBr)cn1
InChIInChI=1S/C15H16BrClN2/c1-11(13-4-6-14(17)7-5-13)19(2)15-8-3-12(9-16)10-18-15/h3-8,10-11H,9H2,1-2H3
InChIKeyNHWOGSVZASCFQW-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.83
Rot. Bonds4

About 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine

5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine (PubChem CID 107083060) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
PubChem CID107083060
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccc(CBr)cn1
InChIInChI=1S/C15H16BrClN2/c1-11(13-4-6-14(17)7-5-13)19(2)15-8-3-12(9-16)10-18-15/h3-8,10-11H,9H2,1-2H3
InChIKeyNHWOGSVZASCFQW-UHFFFAOYSA-N
XLogP4.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carbaldehyde
CID 80631934
5-(bromomethyl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085305
5-(bromomethyl)-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 107080438
6-[1-(4-chlorophenyl)ethyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76979765
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboximidamide
CID 62978126
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 70611813
5-(bromomethyl)-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 107080869
5-(bromomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085000
[5-chloro-6-[1-(4-chlorophenyl)ethyl-methylamino]-3-pyridinyl]methanol
CID 62978853
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
N-[1-(3-aminophenyl)ethyl]-5-chloro-N-methylpyridin-2-amine
CID 60870394
3-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyrazin-2-amine
CID 62979984

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine (CID 107083060) is 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine is CC(c1ccc(Cl)cc1)N(C)c1ccc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
The InChIKey is NHWOGSVZASCFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-11(13-4-6-14(17)7-5-13)19(2)15-8-3-12(9-16)10-18-15/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine?
5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine has a molecular weight of 339.66 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 107083060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).