4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline

C14H13Br2NO2 — CID 103008574

IUPAC4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(Br)cc1COc1cc(N)ccc1Br
InChIInChI=1S/C14H13Br2NO2/c1-18-13-5-2-10(15)6-9(13)8-19-14-7-11(17)3-4-12(14)16/h2-7H,8,17H2,1H3
InChIKeyFLDJWAVOCKGXCM-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.38
Rot. Bonds4

About 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline

4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline (PubChem CID 103008574) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline
PubChem CID103008574
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline
SMILESCOc1ccc(Br)cc1COc1cc(N)ccc1Br
InChIInChI=1S/C14H13Br2NO2/c1-18-13-5-2-10(15)6-9(13)8-19-14-7-11(17)3-4-12(14)16/h2-7H,8,17H2,1H3
InChIKeyFLDJWAVOCKGXCM-UHFFFAOYSA-N
XLogP4.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.38
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-[(2-bromophenoxy)methyl]-4-methoxyaniline
CID 43134680
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
3-[(2-bromo-4-fluorophenoxy)methyl]-4-methoxyaniline
CID 43247179
4-bromo-3-[(2-fluoro-4-methoxyphenyl)methoxy]aniline
CID 103009094
4-bromo-3-methoxyaniline;iron
CID 158491783
4-[(4-bromophenoxy)methyl]-3-methoxyaniline
CID 114112246
3-methoxy-4-[(2-methoxyphenyl)methoxy]aniline
CID 22112878
4-[(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116925979
4-bromo-3-[(2,5-dimethylphenyl)methoxy]aniline
CID 103009356
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline?
The IUPAC name of 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline (CID 103008574) is 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline is COc1ccc(Br)cc1COc1cc(N)ccc1Br.
What is the InChIKey of 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline?
The InChIKey is FLDJWAVOCKGXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-18-13-5-2-10(15)6-9(13)8-19-14-7-11(17)3-4-12(14)16/h2-7H,8,17H2,1H3.
What are the key properties of 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline?
4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline has a molecular weight of 387.07 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(5-bromo-2-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 103008574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).