2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline

C14H13Br2NO — CID 82827974

IUPAC2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline
SMILESNc1cc(COCc2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C14H13Br2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)14(17)7-11/h1-7H,8-9,17H2
InChIKeyGSBOROKDMAVZAW-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.51
Rot. Bonds4

About 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline

2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline (PubChem CID 82827974) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline
PubChem CID82827974
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline
SMILESNc1cc(COCc2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C14H13Br2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)14(17)7-11/h1-7H,8-9,17H2
InChIKeyGSBOROKDMAVZAW-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.51
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

3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline
CID 82828141
2-bromo-5-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 115557489
2-bromo-5-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 115557546
2-bromo-5-(3-phenylpropoxymethyl)aniline
CID 115557539
[4-[(3-amino-4-bromophenyl)methoxy]phenyl]methanol
CID 115557532
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
2-bromo-5-(oxolan-3-ylmethoxymethyl)aniline
CID 115557537
2-bromo-5-ethylaniline;hydrochloride
CID 126796901
2-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]aniline
CID 115557562
2-bromo-5-[(2,4,6-triiodophenoxy)methyl]aniline
CID 115557500
2-[(4-bromophenyl)methoxymethyl]-4-nitroaniline
CID 82832055
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline?
The IUPAC name of 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline (CID 82827974) is 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline.
What is the SMILES notation for 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline?
The canonical SMILES for 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline is Nc1cc(COCc2ccc(Br)cc2)ccc1Br.
What is the InChIKey of 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline?
The InChIKey is GSBOROKDMAVZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)14(17)7-11/h1-7H,8-9,17H2.
What are the key properties of 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline?
2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline has a molecular weight of 371.07 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline is sourced from PubChem (CID 82827974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).