(1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine

C9H13BrN2 — CID 163278429

IUPAC(1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine
SMILESCCN[C@H](C)c1cc(Br)ccn1
InChIInChI=1S/C9H13BrN2/c1-3-11-7(2)9-6-8(10)4-5-12-9/h4-7,11H,3H2,1-2H3/t7-/m1/s1
InChIKeyQEQBDTWMMAYTQX-SSDOTTSWSA-N
MW229.12 g/mol
LogP2.51
Rot. Bonds3

About (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine

(1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine (PubChem CID 163278429) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine
PubChem CID163278429
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name(1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine
SMILESCCN[C@H](C)c1cc(Br)ccn1
InChIInChI=1S/C9H13BrN2/c1-3-11-7(2)9-6-8(10)4-5-12-9/h4-7,11H,3H2,1-2H3/t7-/m1/s1
InChIKeyQEQBDTWMMAYTQX-SSDOTTSWSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine
CID 124704586
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
1-[4-bromo-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]-N-ethylethanamine
CID 82969621
1-(5-bromo-1H-indol-2-yl)-N-ethylethanamine
CID 65333097
1-[5-bromo-2-(1,3-thiazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82969989
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
1-(4-bromo-2-pyridin-4-ylsulfanylphenyl)-N-ethylethanamine
CID 82969170
ethyl 2-(4-bromo-2-pyridinyl)butanoate
CID 163270998
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
1-(4-bromo-2-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 82969763
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine?
The IUPAC name of (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine (CID 163278429) is (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine?
The canonical SMILES for (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine is CCN[C@H](C)c1cc(Br)ccn1.
What is the InChIKey of (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine?
The InChIKey is QEQBDTWMMAYTQX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-3-11-7(2)9-6-8(10)4-5-12-9/h4-7,11H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine?
(1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine has a molecular weight of 229.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 163278429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).