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

C14H13Br2NO — CID 82828141

IUPAC3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline
SMILESNc1cccc(Br)c1COCc1ccc(Br)cc1
InChIInChI=1S/C14H13Br2NO/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7H,8-9,17H2
InChIKeyQCOWLMSNPFQBGA-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.51
Rot. Bonds4

About 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline

3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline (PubChem CID 82828141) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline.

Molecular Properties

Compound Name3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline
PubChem CID82828141
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline
SMILESNc1cccc(Br)c1COCc1ccc(Br)cc1
InChIInChI=1S/C14H13Br2NO/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7H,8-9,17H2
InChIKeyQCOWLMSNPFQBGA-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

2-bromo-5-[(4-bromophenyl)methoxymethyl]aniline
CID 82827974
3-bromo-2-(methoxymethyl)aniline
CID 43349731
3-bromo-2-(hexoxymethyl)aniline
CID 43349811
3-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 43349804
3-bromo-2-(cyclohexylmethoxymethyl)aniline
CID 62382740
3-bromo-2-[(4-propylphenoxy)methyl]aniline
CID 63459217
2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
CID 107708545
3-fluoro-2-(phenylmethoxymethyl)aniline
CID 63331645
3-bromo-2-[(4-bromophenyl)sulfonylmethyl]aniline
CID 43444090
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
3-bromo-2-[(4-propan-2-ylphenoxy)methyl]aniline
CID 43168975
3-bromo-2-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460309

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline?
The IUPAC name of 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline (CID 82828141) is 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline.
What is the SMILES notation for 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline?
The canonical SMILES for 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline is Nc1cccc(Br)c1COCc1ccc(Br)cc1.
What is the InChIKey of 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline?
The InChIKey is QCOWLMSNPFQBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7H,8-9,17H2.
What are the key properties of 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline?
3-bromo-2-[(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 3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline is sourced from PubChem (CID 82828141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).