4-[(3-bromophenyl)methoxy]-3-methoxyaniline

C14H14BrNO2 — CID 55036826

IUPAC4-[(3-bromophenyl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-17-14-8-12(16)5-6-13(14)18-9-10-3-2-4-11(15)7-10/h2-8H,9,16H2,1H3
InChIKeyFLTISHQQFUSSEX-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.62
Rot. Bonds4

About 4-[(3-bromophenyl)methoxy]-3-methoxyaniline

4-[(3-bromophenyl)methoxy]-3-methoxyaniline (PubChem CID 55036826) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-3-methoxyaniline
PubChem CID55036826
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name4-[(3-bromophenyl)methoxy]-3-methoxyaniline
SMILESCOc1cc(N)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C14H14BrNO2/c1-17-14-8-12(16)5-6-13(14)18-9-10-3-2-4-11(15)7-10/h2-8H,9,16H2,1H3
InChIKeyFLTISHQQFUSSEX-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
4-methoxy-3-[(3-methylphenyl)methoxy]aniline
CID 16792794
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 106955208
3-[(3-bromophenyl)methoxy]-5-methoxyaniline
CID 82828787
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
CID 105402158
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-3-methoxyaniline?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-3-methoxyaniline (CID 55036826) is 4-[(3-bromophenyl)methoxy]-3-methoxyaniline.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-3-methoxyaniline?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-3-methoxyaniline is COc1cc(N)ccc1OCc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-3-methoxyaniline?
The InChIKey is FLTISHQQFUSSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-17-14-8-12(16)5-6-13(14)18-9-10-3-2-4-11(15)7-10/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(3-bromophenyl)methoxy]-3-methoxyaniline?
4-[(3-bromophenyl)methoxy]-3-methoxyaniline has a molecular weight of 308.18 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methoxy]-3-methoxyaniline is sourced from PubChem (CID 55036826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).