N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine

C13H13BrClN3 — CID 114838670

IUPACN-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
SMILESNCCc1ccc(Nc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C13H13BrClN3/c14-12-7-10(15)8-17-13(12)18-11-3-1-9(2-4-11)5-6-16/h1-4,7-8H,5-6,16H2,(H,17,18)
InChIKeyNCHBZHUJPGVPMX-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.74
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine

N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine (PubChem CID 114838670) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
PubChem CID114838670
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC NameN-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
SMILESNCCc1ccc(Nc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C13H13BrClN3/c14-12-7-10(15)8-17-13(12)18-11-3-1-9(2-4-11)5-6-16/h1-4,7-8H,5-6,16H2,(H,17,18)
InChIKeyNCHBZHUJPGVPMX-UHFFFAOYSA-N
XLogP3.74
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine 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

N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
CID 113398009
3-N-(3-bromo-5-chloro-2-pyridinyl)benzene-1,3-diamine
CID 114835563
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(3,5-difluorophenyl)pyridin-2-amine
CID 114836633
3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine
CID 114837216
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
3-bromo-5-chloro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 114837087
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine
CID 114836575
5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 114836563

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine (CID 114838670) is N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine is NCCc1ccc(Nc2ncc(Cl)cc2Br)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine?
The InChIKey is NCHBZHUJPGVPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c14-12-7-10(15)8-17-13(12)18-11-3-1-9(2-4-11)5-6-16/h1-4,7-8H,5-6,16H2,(H,17,18).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine?
N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine has a molecular weight of 326.63 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine is sourced from PubChem (CID 114838670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).