N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline

C14H13BrFNO — CID 60678805

IUPACN-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
SMILESFc1cccc(NCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrFNO/c15-11-4-6-14(7-5-11)18-9-8-17-13-3-1-2-12(16)10-13/h1-7,10,17H,8-9H2
InChIKeyVOOWBWZMAMFMBZ-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline

N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline (PubChem CID 60678805) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
PubChem CID60678805
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
SMILESFc1cccc(NCCOc2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrFNO/c15-11-4-6-14(7-5-11)18-9-8-17-13-3-1-2-12(16)10-13/h1-7,10,17H,8-9H2
InChIKeyVOOWBWZMAMFMBZ-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline 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-(4-bromophenoxy)ethyl]-3-iodoaniline
CID 63487821
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
N-[2-(4-bromophenoxy)ethyl]-3-chloro-5-fluoroaniline
CID 107365021
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-3-fluoroaniline
CID 107101708
4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline
CID 63515607
3-fluoro-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]aniline
CID 63515935
5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline
CID 63488371
N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline
CID 81325478
3-[2-(3-fluoroanilino)ethoxy]benzoic acid
CID 103234227
N-[2-(2-bromo-4-methylphenoxy)ethyl]-3-fluoroaniline
CID 63517825
N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline
CID 63490686

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline (CID 60678805) is N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline is Fc1cccc(NCCOc2ccc(Br)cc2)c1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline?
The InChIKey is VOOWBWZMAMFMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-11-4-6-14(7-5-11)18-9-8-17-13-3-1-2-12(16)10-13/h1-7,10,17H,8-9H2.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline?
N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline has a molecular weight of 310.17 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline is sourced from PubChem (CID 60678805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).