N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline

C15H15BrClNO2 — CID 104708538

IUPACN-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline
SMILESCOc1ccc(OCCNc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNO2/c1-19-11-6-7-15(12(16)10-11)20-9-8-18-14-5-3-2-4-13(14)17/h2-7,10,18H,8-9H2,1H3
InChIKeyJBGFMVJKFDMCMG-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.60
Rot. Bonds6

About N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline

N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline (PubChem CID 104708538) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline.

Molecular Properties

Compound NameN-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline
PubChem CID104708538
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC NameN-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline
SMILESCOc1ccc(OCCNc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C15H15BrClNO2/c1-19-11-6-7-15(12(16)10-11)20-9-8-18-14-5-3-2-4-13(14)17/h2-7,10,18H,8-9H2,1H3
InChIKeyJBGFMVJKFDMCMG-UHFFFAOYSA-N
XLogP4.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline 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-[2-(2,5-dibromo-4-methoxyphenoxy)ethyl]-2-methylaniline
CID 79407221
3-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-methylaniline
CID 54797152
2-(2-bromo-4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 104708550
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
N-(3-chloro-2-methylphenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807475
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxyaniline
CID 60680640
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
N-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]-2-fluoroaniline
CID 107661382

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline?
The IUPAC name of N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline (CID 104708538) is N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline.
What is the SMILES notation for N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline?
The canonical SMILES for N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline is COc1ccc(OCCNc2ccccc2Cl)c(Br)c1.
What is the InChIKey of N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline?
The InChIKey is JBGFMVJKFDMCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-19-11-6-7-15(12(16)10-11)20-9-8-18-14-5-3-2-4-13(14)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline?
N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline has a molecular weight of 356.65 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4-methoxyphenoxy)ethyl]-2-chloroaniline is sourced from PubChem (CID 104708538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).