4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline

C13H17BrCl2N2 — CID 63487853

IUPAC4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCCCN1CCCC1
InChIInChI=1S/C13H17BrCl2N2/c14-10-8-11(15)13(12(16)9-10)17-4-3-7-18-5-1-2-6-18/h8-9,17H,1-7H2
InChIKeyRPGDNRIPCOYJGB-UHFFFAOYSA-N
MW352.10 g/mol
LogP4.65
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline

4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline (PubChem CID 63487853) has the molecular formula C13H17BrCl2N2 and a molecular weight of 352.10 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
PubChem CID63487853
Molecular FormulaC13H17BrCl2N2
Molecular Weight352.10 g/mol
Exact Mass350.00
IUPAC Name4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCCCN1CCCC1
InChIInChI=1S/C13H17BrCl2N2/c14-10-8-11(15)13(12(16)9-10)17-4-3-7-18-5-1-2-6-18/h8-9,17H,1-7H2
InChIKeyRPGDNRIPCOYJGB-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline 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

4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 114014994
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984
5-bromo-3-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 103582512
3,5-dichloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 107574009
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
3-bromo-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 59590019
2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82088072
4-bromo-2,6-dichloro-N-(4,4,4-trifluorobutyl)aniline
CID 113326312
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
2-chloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960814
4-bromo-2,6-dichloro-N-(4-methylsulfanylbutyl)aniline
CID 103087339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline (CID 63487853) is 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline is Clc1cc(Br)cc(Cl)c1NCCCN1CCCC1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
The InChIKey is RPGDNRIPCOYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2/c14-10-8-11(15)13(12(16)9-10)17-4-3-7-18-5-1-2-6-18/h8-9,17H,1-7H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline?
4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline has a molecular weight of 352.10 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline is sourced from PubChem (CID 63487853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).