N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine

C14H15BrN2 — CID 133292178

IUPACN-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCN(CCc1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C14H15BrN2/c1-17(14-4-2-3-10-16-14)11-9-12-5-7-13(15)8-6-12/h2-8,10H,9,11H2,1H3
InChIKeyLDRHPJSPTLBPFP-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine

N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine (PubChem CID 133292178) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine
PubChem CID133292178
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine
SMILESCN(CCc1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C14H15BrN2/c1-17(14-4-2-3-10-16-14)11-9-12-5-7-13(15)8-6-12/h2-8,10H,9,11H2,1H3
InChIKeyLDRHPJSPTLBPFP-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine (CID 133292178) is N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine is CN(CCc1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine?
The InChIKey is LDRHPJSPTLBPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-17(14-4-2-3-10-16-14)11-9-12-5-7-13(15)8-6-12/h2-8,10H,9,11H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine?
N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine has a molecular weight of 291.19 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 133292178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).