1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine

C15H17BrN2O — CID 83128091

IUPAC1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cccc(Br)c2)cn1
InChIInChI=1S/C15H17BrN2O/c1-3-17-11(2)15-8-7-14(10-18-15)19-13-6-4-5-12(16)9-13/h4-11,17H,3H2,1-2H3
InChIKeyNHMCNDBRLAZSSW-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.31
Rot. Bonds5

About 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine

1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine (PubChem CID 83128091) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
PubChem CID83128091
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cccc(Br)c2)cn1
InChIInChI=1S/C15H17BrN2O/c1-3-17-11(2)15-8-7-14(10-18-15)19-13-6-4-5-12(16)9-13/h4-11,17H,3H2,1-2H3
InChIKeyNHMCNDBRLAZSSW-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]oxy]-N,N-dimethylaniline
CID 83111619
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 107658714
N-ethyl-1-[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83111596
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine (CID 83128091) is 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2cccc(Br)c2)cn1.
What is the InChIKey of 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine?
The InChIKey is NHMCNDBRLAZSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-17-11(2)15-8-7-14(10-18-15)19-13-6-4-5-12(16)9-13/h4-11,17H,3H2,1-2H3.
What are the key properties of 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine?
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine has a molecular weight of 321.22 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 83128091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).