4-bromo-3-[(3-fluorophenyl)methoxy]aniline

C13H11BrFNO — CID 103008828

IUPAC4-bromo-3-[(3-fluorophenyl)methoxy]aniline
SMILESNc1ccc(Br)c(OCc2cccc(F)c2)c1
InChIInChI=1S/C13H11BrFNO/c14-12-5-4-11(16)7-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2
InChIKeyDQPCYXGHGFQKGH-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.75
Rot. Bonds3

About 4-bromo-3-[(3-fluorophenyl)methoxy]aniline

4-bromo-3-[(3-fluorophenyl)methoxy]aniline (PubChem CID 103008828) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 4-bromo-3-[(3-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name4-bromo-3-[(3-fluorophenyl)methoxy]aniline
PubChem CID103008828
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name4-bromo-3-[(3-fluorophenyl)methoxy]aniline
SMILESNc1ccc(Br)c(OCc2cccc(F)c2)c1
InChIInChI=1S/C13H11BrFNO/c14-12-5-4-11(16)7-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2
InChIKeyDQPCYXGHGFQKGH-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 103009232
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453
4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline
CID 103008604
4-bromo-3-[(4-tert-butylphenyl)methoxy]aniline
CID 103009139
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 43141601
3-[(2-bromo-5-fluorophenoxy)methyl]-2-fluoroaniline
CID 107347993
5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
CID 146470006
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(3-fluorophenyl)methoxy]aniline?
The IUPAC name of 4-bromo-3-[(3-fluorophenyl)methoxy]aniline (CID 103008828) is 4-bromo-3-[(3-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 4-bromo-3-[(3-fluorophenyl)methoxy]aniline?
The canonical SMILES for 4-bromo-3-[(3-fluorophenyl)methoxy]aniline is Nc1ccc(Br)c(OCc2cccc(F)c2)c1.
What is the InChIKey of 4-bromo-3-[(3-fluorophenyl)methoxy]aniline?
The InChIKey is DQPCYXGHGFQKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-12-5-4-11(16)7-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2.
What are the key properties of 4-bromo-3-[(3-fluorophenyl)methoxy]aniline?
4-bromo-3-[(3-fluorophenyl)methoxy]aniline has a molecular weight of 296.14 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(3-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 103008828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).