N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine

C13H13BrClN3O — CID 103582766

IUPACN-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine
SMILESNc1cccc(OCCNc2ncc(Br)cc2Cl)c1
InChIInChI=1S/C13H13BrClN3O/c14-9-6-12(15)13(18-8-9)17-4-5-19-11-3-1-2-10(16)7-11/h1-3,6-8H,4-5,16H2,(H,17,18)
InChIKeyKXDFZJRLAZALOY-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine

N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine (PubChem CID 103582766) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine
PubChem CID103582766
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine
SMILESNc1cccc(OCCNc2ncc(Br)cc2Cl)c1
InChIInChI=1S/C13H13BrClN3O/c14-9-6-12(15)13(18-8-9)17-4-5-19-11-3-1-2-10(16)7-11/h1-3,6-8H,4-5,16H2,(H,17,18)
InChIKeyKXDFZJRLAZALOY-UHFFFAOYSA-N
XLogP3.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
CID 83064262
N-[2-(3-aminophenoxy)ethyl]-5-fluoropyrimidin-2-amine
CID 113432130
3-[3-(4-bromo-2-chlorophenoxy)propoxy]aniline
CID 43174446
2-[2-[(5-bromo-3-chloro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239797
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 63237716
3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
CID 113413693
5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde
CID 59242463
3,5-dichloro-6-hydrazinyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 102761875
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine (CID 103582766) is N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine is Nc1cccc(OCCNc2ncc(Br)cc2Cl)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine?
The InChIKey is KXDFZJRLAZALOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c14-9-6-12(15)13(18-8-9)17-4-5-19-11-3-1-2-10(16)7-11/h1-3,6-8H,4-5,16H2,(H,17,18).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine?
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine has a molecular weight of 342.62 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine is sourced from PubChem (CID 103582766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).