3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C13H21BrN2 — CID 104810436

IUPAC3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)Cc1ccc(Br)cn1
InChIInChI=1S/C13H21BrN2/c1-10(2)7-15-8-11(3)6-13-5-4-12(14)9-16-13/h4-5,9-11,15H,6-8H2,1-3H3
InChIKeyITFDMJAFICKXSR-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.27
Rot. Bonds6

About 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 104810436) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID104810436
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)Cc1ccc(Br)cn1
InChIInChI=1S/C13H21BrN2/c1-10(2)7-15-8-11(3)6-13-5-4-12(14)9-16-13/h4-5,9-11,15H,6-8H2,1-3H3
InChIKeyITFDMJAFICKXSR-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
4-(5-bromo-2-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 104812047
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62529899
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 104810436) is 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)Cc1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is ITFDMJAFICKXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10(2)7-15-8-11(3)6-13-5-4-12(14)9-16-13/h4-5,9-11,15H,6-8H2,1-3H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 285.23 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 104810436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).