N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine

C15H15BrClN3 — CID 114836415

IUPACN-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
SMILESNc1ccc(CN(c2ncc(Cl)cc2Br)C2CC2)cc1
InChIInChI=1S/C15H15BrClN3/c16-14-7-11(17)8-19-15(14)20(13-5-6-13)9-10-1-3-12(18)4-2-10/h1-4,7-8,13H,5-6,9,18H2
InChIKeyVQLZGOLLHUPKLI-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.25
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine

N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine (PubChem CID 114836415) has the molecular formula C15H15BrClN3 and a molecular weight of 352.66 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
PubChem CID114836415
Molecular FormulaC15H15BrClN3
Molecular Weight352.66 g/mol
Exact Mass351.01
IUPAC NameN-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
SMILESNc1ccc(CN(c2ncc(Cl)cc2Br)C2CC2)cc1
InChIInChI=1S/C15H15BrClN3/c16-14-7-11(17)8-19-15(14)20(13-5-6-13)9-10-1-3-12(18)4-2-10/h1-4,7-8,13H,5-6,9,18H2
InChIKeyVQLZGOLLHUPKLI-UHFFFAOYSA-N
XLogP4.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-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

3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712
N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine
CID 104606437
N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine
CID 79840541
4-[(4-aminophenyl)methyl-cyclopropylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979258
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
4-[(4-aminophenyl)methyl-cyclopropylamino]-3-bromobenzonitrile
CID 82789919

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine (CID 114836415) is N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine is Nc1ccc(CN(c2ncc(Cl)cc2Br)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine?
The InChIKey is VQLZGOLLHUPKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3/c16-14-7-11(17)8-19-15(14)20(13-5-6-13)9-10-1-3-12(18)4-2-10/h1-4,7-8,13H,5-6,9,18H2.
What are the key properties of N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine?
N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine has a molecular weight of 352.66 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine is sourced from PubChem (CID 114836415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).