N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine

C13H14BrN3 — CID 114194215

IUPACN-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine
SMILESNc1ccc(CCNc2cncc(Br)c2)cc1
InChIInChI=1S/C13H14BrN3/c14-11-7-13(9-16-8-11)17-6-5-10-1-3-12(15)4-2-10/h1-4,7-9,17H,5-6,15H2
InChIKeyMWKMHCXOGUOZNU-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine

N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine (PubChem CID 114194215) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine
PubChem CID114194215
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine
SMILESNc1ccc(CCNc2cncc(Br)c2)cc1
InChIInChI=1S/C13H14BrN3/c14-11-7-13(9-16-8-11)17-6-5-10-1-3-12(15)4-2-10/h1-4,7-9,17H,5-6,15H2
InChIKeyMWKMHCXOGUOZNU-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol
CID 115682875
N-[2-(4-aminophenyl)ethyl]pyridin-4-amine
CID 61220223
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
N-[2-(4-aminophenyl)ethyl]-5-bromopyrimidin-4-amine
CID 66340617
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine
CID 59777379
4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
CID 121223080
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
5-bromo-N-pent-4-ynylpyridin-3-amine
CID 103704408
5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
CID 61380799

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine (CID 114194215) is N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine is Nc1ccc(CCNc2cncc(Br)c2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine?
The InChIKey is MWKMHCXOGUOZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-11-7-13(9-16-8-11)17-6-5-10-1-3-12(15)4-2-10/h1-4,7-9,17H,5-6,15H2.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine?
N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine has a molecular weight of 292.18 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine is sourced from PubChem (CID 114194215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).