N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine

C12H19BrN2O — CID 115626597

IUPACN-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2O/c1-10(2)9-16-6-5-14-8-12-4-3-11(13)7-15-12/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyZLOSRSUBHIJAIR-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.61
Rot. Bonds7

About N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine

N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 115626597) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
PubChem CID115626597
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2O/c1-10(2)9-16-6-5-14-8-12-4-3-11(13)7-15-12/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyZLOSRSUBHIJAIR-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
4-[(5-bromo-2-pyridinyl)methylamino]-1-methoxybutan-2-ol
CID 103876253
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115676446
2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 115652347
N-[[6-[2-(2-methylpropoxy)ethoxymethyl]-3-pyridinyl]methyl]propan-1-amine
CID 106450090
5-bromo-N-[(5-bromo-2-pyridinyl)methyl]pentan-1-amine
CID 107320331
6-[(5-bromo-2-pyridinyl)methylamino]-4-methylhexanoic acid
CID 104800428
3-(2-methylpropoxy)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62760233
tert-butyl N-[2-[(5-bromo-2-pyridinyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245980
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine (CID 115626597) is N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine is CC(C)COCCNCc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is ZLOSRSUBHIJAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-10(2)9-16-6-5-14-8-12-4-3-11(13)7-15-12/h3-4,7,10,14H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine?
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 287.20 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 115626597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).