N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline

C14H12BrClFNO — CID 81325478

IUPACN-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline
SMILESFc1cc(Br)cc(OCCNc2cccc(Cl)c2)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-6-12(17)9-14(7-10)19-5-4-18-13-3-1-2-11(16)8-13/h1-3,6-9,18H,4-5H2
InChIKeyRZEOUZFWBHHLLN-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.73
Rot. Bonds5

About N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline

N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline (PubChem CID 81325478) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline.

Molecular Properties

Compound NameN-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline
PubChem CID81325478
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC NameN-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline
SMILESFc1cc(Br)cc(OCCNc2cccc(Cl)c2)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-6-12(17)9-14(7-10)19-5-4-18-13-3-1-2-11(16)8-13/h1-3,6-9,18H,4-5H2
InChIKeyRZEOUZFWBHHLLN-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-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

3-chloro-N-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62597196
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-3-chloroaniline
CID 114676990
N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline
CID 55196746
4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline
CID 63515607
N-[2-(4-bromophenoxy)ethyl]-3-chloro-5-fluoroaniline
CID 107365021
N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
CID 60678805
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
4-[2-(3-chloroanilino)ethoxy]benzoic acid
CID 103234177
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline?
The IUPAC name of N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline (CID 81325478) is N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline.
What is the SMILES notation for N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline?
The canonical SMILES for N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline is Fc1cc(Br)cc(OCCNc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline?
The InChIKey is RZEOUZFWBHHLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-10-6-12(17)9-14(7-10)19-5-4-18-13-3-1-2-11(16)8-13/h1-3,6-9,18H,4-5H2.
What are the key properties of N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline?
N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline has a molecular weight of 344.61 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline is sourced from PubChem (CID 81325478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).