1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine

C11H17BrN2O — CID 116715292

IUPAC1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-3-11(15-2)10(13)5-8-4-9(12)7-14-6-8/h4,6-7,10-11H,3,5,13H2,1-2H3
InChIKeyNTNRTBBHWRYMTO-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.14
Rot. Bonds5

About 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine

1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine (PubChem CID 116715292) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
PubChem CID116715292
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
SMILESCCC(OC)C(N)Cc1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O/c1-3-11(15-2)10(13)5-8-4-9(12)7-14-6-8/h4,6-7,10-11H,3,5,13H2,1-2H3
InChIKeyNTNRTBBHWRYMTO-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine
CID 116721000
1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312277
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
3-(5-bromo-3-pyridinyl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 104803184
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine (CID 116715292) is 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine is CCC(OC)C(N)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine?
The InChIKey is NTNRTBBHWRYMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-3-11(15-2)10(13)5-8-4-9(12)7-14-6-8/h4,6-7,10-11H,3,5,13H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine?
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine has a molecular weight of 273.17 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine is sourced from PubChem (CID 116715292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).