1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine

C10H15BrN2O — CID 104801563

IUPAC1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-14-5-4-9(12)6-10-3-2-8(11)7-13-10/h2-3,7,9H,4-6,12H2,1H3
InChIKeyRFVHHHODRVHQAH-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.75
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine

1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine (PubChem CID 104801563) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
PubChem CID104801563
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1ccc(Br)cn1
InChIInChI=1S/C10H15BrN2O/c1-14-5-4-9(12)6-10-3-2-8(11)7-13-10/h2-3,7,9H,4-6,12H2,1H3
InChIKeyRFVHHHODRVHQAH-UHFFFAOYSA-N
XLogP1.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine
CID 68710980
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760732
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 104801802
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245
[1-(5-bromo-2-pyridinyl)-3-methoxypentan-2-yl]hydrazine
CID 105270656
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine (CID 104801563) is 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine is COCCC(N)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine?
The InChIKey is RFVHHHODRVHQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-14-5-4-9(12)6-10-3-2-8(11)7-13-10/h2-3,7,9H,4-6,12H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine?
1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine has a molecular weight of 259.15 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 104801563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).