1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine

C16H19BrN2O2 — CID 104707882

IUPAC1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccnc(Oc2ccc(OC)cc2Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-4-18-11(2)12-7-8-19-16(9-12)21-15-6-5-13(20-3)10-14(15)17/h5-11,18H,4H2,1-3H3
InChIKeyYJVXLFRMTCJLFG-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.32
Rot. Bonds6

About 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine

1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine (PubChem CID 104707882) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine
PubChem CID104707882
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccnc(Oc2ccc(OC)cc2Br)c1
InChIInChI=1S/C16H19BrN2O2/c1-4-18-11(2)12-7-8-19-16(9-12)21-15-6-5-13(20-3)10-14(15)17/h5-11,18H,4H2,1-3H3
InChIKeyYJVXLFRMTCJLFG-UHFFFAOYSA-N
XLogP4.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
3-[[4-[1-(ethylamino)ethyl]-2-pyridinyl]oxy]-4-methylbenzonitrile
CID 107658698
1-[4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
CID 64720013
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]ethanamine
CID 106447924
1-[3-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 79167858
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
2-(2-bromo-4-methoxyphenoxy)pyridine-4-carboximidamide
CID 104707813
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine (CID 104707882) is 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine is CCNC(C)c1ccnc(Oc2ccc(OC)cc2Br)c1.
What is the InChIKey of 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine?
The InChIKey is YJVXLFRMTCJLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-4-18-11(2)12-7-8-19-16(9-12)21-15-6-5-13(20-3)10-14(15)17/h5-11,18H,4H2,1-3H3.
What are the key properties of 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine?
1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine has a molecular weight of 351.24 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 104707882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).