2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine

C14H16BrN3 — CID 104802107

IUPAC2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1cc(C)ccn1
InChIInChI=1S/C14H16BrN3/c1-10-5-6-17-14(7-10)13(16-2)8-12-4-3-11(15)9-18-12/h3-7,9,13,16H,8H2,1-2H3
InChIKeyFPRSCRNTHKLWNQ-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.05
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine

2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine (PubChem CID 104802107) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
PubChem CID104802107
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1cc(C)ccn1
InChIInChI=1S/C14H16BrN3/c1-10-5-6-17-14(7-10)13(16-2)8-12-4-3-11(15)9-18-12/h3-7,9,13,16H,8H2,1-2H3
InChIKeyFPRSCRNTHKLWNQ-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942
2-(3,5-dimethylphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840680
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
2-(furan-3-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 83175534
N-methyl-1-(4-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63840960
N,5-dimethyl-1-(4-methyl-2-pyridinyl)hexan-1-amine
CID 83161254

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine (CID 104802107) is 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine is CNC(Cc1ccc(Br)cn1)c1cc(C)ccn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine?
The InChIKey is FPRSCRNTHKLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-5-6-17-14(7-10)13(16-2)8-12-4-3-11(15)9-18-12/h3-7,9,13,16H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 104802107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).