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

C13H21BrN2O — CID 116760732

IUPAC1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1ccc(Br)cn1
InChIInChI=1S/C13H21BrN2O/c1-4-13(5-2,17-3)12(15)8-11-7-6-10(14)9-16-11/h6-7,9,12H,4-5,8,15H2,1-3H3
InChIKeyGUFHFBQRSIWGIM-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.92
Rot. Bonds6

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

1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine (PubChem CID 116760732) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
PubChem CID116760732
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1ccc(Br)cn1
InChIInChI=1S/C13H21BrN2O/c1-4-13(5-2,17-3)12(15)8-11-7-6-10(14)9-16-11/h6-7,9,12H,4-5,8,15H2,1-3H3
InChIKeyGUFHFBQRSIWGIM-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 104802941
1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
CID 104801563
[1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245333
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296
1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802897
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
[1-(5-bromo-2-pyridinyl)-3-methoxypentan-2-yl]hydrazine
CID 105270656
[1-(5-bromo-2-pyridinyl)-3-methoxypropan-2-yl]hydrazine
CID 105207194
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine
CID 116760495
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 105180937

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine (CID 116760732) is 1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine is CCC(CC)(OC)C(N)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine?
The InChIKey is GUFHFBQRSIWGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-4-13(5-2,17-3)12(15)8-11-7-6-10(14)9-16-11/h6-7,9,12H,4-5,8,15H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine?
1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine has a molecular weight of 301.23 g/mol, XLogP of 2.92, 6 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)-3-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 116760732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).