5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline

C15H16BrNO2 — CID 82828566

IUPAC5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline
SMILESCOc1ccc(COCc2ccccc2Br)cc1N
InChIInChI=1S/C15H16BrNO2/c1-18-15-7-6-11(8-14(15)17)9-19-10-12-4-2-3-5-13(12)16/h2-8H,9-10,17H2,1H3
InChIKeyBCLLSVFXRVJTTR-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.76
Rot. Bonds5

About 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline

5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline (PubChem CID 82828566) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline
PubChem CID82828566
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline
SMILESCOc1ccc(COCc2ccccc2Br)cc1N
InChIInChI=1S/C15H16BrNO2/c1-18-15-7-6-11(8-14(15)17)9-19-10-12-4-2-3-5-13(12)16/h2-8H,9-10,17H2,1H3
InChIKeyBCLLSVFXRVJTTR-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.76
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

[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 82827758
[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 106786393
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
2-methoxy-5-(thiophen-2-ylmethoxymethyl)aniline
CID 54967007
5-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxyaniline
CID 83233823
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
2-methoxy-5-(4,4,4-trifluorobutoxymethyl)aniline
CID 82788543
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
3-[(2-bromophenyl)methoxymethyl]benzenecarbothioamide
CID 82826436
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
CID 65126584

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline?
The IUPAC name of 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline (CID 82828566) is 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline?
The canonical SMILES for 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline is COc1ccc(COCc2ccccc2Br)cc1N.
What is the InChIKey of 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline?
The InChIKey is BCLLSVFXRVJTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-15-7-6-11(8-14(15)17)9-19-10-12-4-2-3-5-13(12)16/h2-8H,9-10,17H2,1H3.
What are the key properties of 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline?
5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline has a molecular weight of 322.20 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline is sourced from PubChem (CID 82828566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).