1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine

C10H15BrN2O — CID 175752835

IUPAC1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine
SMILESCCNC(C)c1cnc(OC)c(Br)c1
InChIInChI=1S/C10H15BrN2O/c1-4-12-7(2)8-5-9(11)10(14-3)13-6-8/h5-7,12H,4H2,1-3H3
InChIKeyNOGZCTHMZJGAOP-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.52
Rot. Bonds4

About 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine

1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine (PubChem CID 175752835) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine
PubChem CID175752835
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine
SMILESCCNC(C)c1cnc(OC)c(Br)c1
InChIInChI=1S/C10H15BrN2O/c1-4-12-7(2)8-5-9(11)10(14-3)13-6-8/h5-7,12H,4H2,1-3H3
InChIKeyNOGZCTHMZJGAOP-UHFFFAOYSA-N
XLogP2.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
CID 163278698
[1-(5-bromo-6-methoxy-3-pyridinyl)ethyl-ethylamino]-tert-butyl-oxidosulfanium
CID 175485429
2-bromo-4-[1-(ethylamino)ethyl]phenol
CID 62910509
1-[3-bromo-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
CID 62912275
1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine
CID 104707882
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 65326686
2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 62912192
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
CID 63532672
(5-bromo-6-propan-2-yloxy-3-pyridinyl)-methoxymethanol
CID 170207204

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine (CID 175752835) is 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine is CCNC(C)c1cnc(OC)c(Br)c1.
What is the InChIKey of 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine?
The InChIKey is NOGZCTHMZJGAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-4-12-7(2)8-5-9(11)10(14-3)13-6-8/h5-7,12H,4H2,1-3H3.
What are the key properties of 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine?
1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine has a molecular weight of 259.15 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methoxy-3-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 175752835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).