3-[(3-bromophenyl)methoxy]-5-methoxyaniline

C14H14BrNO2 — CID 82828787

IUPAC3-[(3-bromophenyl)methoxy]-5-methoxyaniline
SMILESCOc1cc(N)cc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C14H14BrNO2/c1-17-13-6-12(16)7-14(8-13)18-9-10-3-2-4-11(15)5-10/h2-8H,9,16H2,1H3
InChIKeyDXSNDFHSZQDYEO-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.62
Rot. Bonds4

About 3-[(3-bromophenyl)methoxy]-5-methoxyaniline

3-[(3-bromophenyl)methoxy]-5-methoxyaniline (PubChem CID 82828787) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-5-methoxyaniline.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-5-methoxyaniline
PubChem CID82828787
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-[(3-bromophenyl)methoxy]-5-methoxyaniline
SMILESCOc1cc(N)cc(OCc2cccc(Br)c2)c1
InChIInChI=1S/C14H14BrNO2/c1-17-13-6-12(16)7-14(8-13)18-9-10-3-2-4-11(15)5-10/h2-8H,9,16H2,1H3
InChIKeyDXSNDFHSZQDYEO-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

3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile
CID 103567180
3-methoxy-5-phenylmethoxyaniline
CID 12658785
3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
CID 80752679
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
6-[(3-bromophenyl)methoxy]-2-methoxypyridin-3-amine
CID 82827567
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarbothioamide
CID 82826744

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-5-methoxyaniline?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-5-methoxyaniline (CID 82828787) is 3-[(3-bromophenyl)methoxy]-5-methoxyaniline.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-5-methoxyaniline?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-5-methoxyaniline is COc1cc(N)cc(OCc2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-5-methoxyaniline?
The InChIKey is DXSNDFHSZQDYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-17-13-6-12(16)7-14(8-13)18-9-10-3-2-4-11(15)5-10/h2-8H,9,16H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-5-methoxyaniline?
3-[(3-bromophenyl)methoxy]-5-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 3-[(3-bromophenyl)methoxy]-5-methoxyaniline is sourced from PubChem (CID 82828787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).