5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline

C14H12Br2FNO — CID 63488371

IUPAC5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCCOc1ccc(Br)cc1
InChIInChI=1S/C14H12Br2FNO/c15-10-1-4-12(5-2-10)19-8-7-18-14-9-11(16)3-6-13(14)17/h1-6,9,18H,7-8H2
InChIKeyREGIZWQAOVBQDF-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.84
Rot. Bonds5

About 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline

5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline (PubChem CID 63488371) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline
PubChem CID63488371
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCCOc1ccc(Br)cc1
InChIInChI=1S/C14H12Br2FNO/c15-10-1-4-12(5-2-10)19-8-7-18-14-9-11(16)3-6-13(14)17/h1-6,9,18H,7-8H2
InChIKeyREGIZWQAOVBQDF-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
CID 63488219
5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154
N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline
CID 63490686
1-(5-bromo-2-fluoroanilino)-3-(4-bromophenoxy)propan-2-ol
CID 63488376
5-bromo-2-fluoro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451652
N-[2-(4-bromophenoxy)ethyl]-3-chloro-5-fluoroaniline
CID 107365021
N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
CID 60678805
5-bromo-2-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178584
N-[2-(4-bromophenoxy)ethyl]-2-methylsulfanylaniline
CID 103604397
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxyaniline
CID 60680640
4-[2-(5-chloro-2-fluoroanilino)ethoxy]benzoic acid
CID 103237902
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 43555732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline (CID 63488371) is 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline is Fc1ccc(Br)cc1NCCOc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline?
The InChIKey is REGIZWQAOVBQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c15-10-1-4-12(5-2-10)19-8-7-18-14-9-11(16)3-6-13(14)17/h1-6,9,18H,7-8H2.
What are the key properties of 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline?
5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline has a molecular weight of 389.06 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline is sourced from PubChem (CID 63488371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).