N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine

C15H18BrN3 — CID 62292840

IUPACN-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cccc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3/c1-17-10-13-7-5-9-15(18-13)19(2)11-12-6-3-4-8-14(12)16/h3-9,17H,10-11H2,1-2H3
InChIKeyJZAUQXKSEYHEKW-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine

N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine (PubChem CID 62292840) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
PubChem CID62292840
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cccc(N(C)Cc2ccccc2Br)n1
InChIInChI=1S/C15H18BrN3/c1-17-10-13-7-5-9-15(18-13)19(2)11-12-6-3-4-8-14(12)16/h3-9,17H,10-11H2,1-2H3
InChIKeyJZAUQXKSEYHEKW-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine (CID 62292840) is N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine is CNCc1cccc(N(C)Cc2ccccc2Br)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
The InChIKey is JZAUQXKSEYHEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-17-10-13-7-5-9-15(18-13)19(2)11-12-6-3-4-8-14(12)16/h3-9,17H,10-11H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine?
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62292840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).