4-[(2-amino-6-bromophenoxy)methyl]phenol

C13H12BrNO2 — CID 81499279

IUPAC4-[(2-amino-6-bromophenoxy)methyl]phenol
SMILESNc1cccc(Br)c1OCc1ccc(O)cc1
InChIInChI=1S/C13H12BrNO2/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7,16H,8,15H2
InChIKeyAFJKQJUIORYBRB-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.32
Rot. Bonds3

About 4-[(2-amino-6-bromophenoxy)methyl]phenol

4-[(2-amino-6-bromophenoxy)methyl]phenol (PubChem CID 81499279) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-[(2-amino-6-bromophenoxy)methyl]phenol.

Molecular Properties

Compound Name4-[(2-amino-6-bromophenoxy)methyl]phenol
PubChem CID81499279
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name4-[(2-amino-6-bromophenoxy)methyl]phenol
SMILESNc1cccc(Br)c1OCc1ccc(O)cc1
InChIInChI=1S/C13H12BrNO2/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7,16H,8,15H2
InChIKeyAFJKQJUIORYBRB-UHFFFAOYSA-N
XLogP3.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(aminomethyl)-2,6-dibromophenoxy]methyl]phenol
CID 107741447
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
CID 107745437
3-bromo-2-[(2,5-dichlorophenyl)methoxy]aniline
CID 81499382
3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640206
3-bromo-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865662
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
3-bromo-2-(3,3,3-trifluoropropoxy)aniline
CID 81499266
3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
CID 102615065
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 61391527
3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
CID 65478431

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-bromophenoxy)methyl]phenol?
The IUPAC name of 4-[(2-amino-6-bromophenoxy)methyl]phenol (CID 81499279) is 4-[(2-amino-6-bromophenoxy)methyl]phenol.
What is the SMILES notation for 4-[(2-amino-6-bromophenoxy)methyl]phenol?
The canonical SMILES for 4-[(2-amino-6-bromophenoxy)methyl]phenol is Nc1cccc(Br)c1OCc1ccc(O)cc1.
What is the InChIKey of 4-[(2-amino-6-bromophenoxy)methyl]phenol?
The InChIKey is AFJKQJUIORYBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-11-2-1-3-12(15)13(11)17-8-9-4-6-10(16)7-5-9/h1-7,16H,8,15H2.
What are the key properties of 4-[(2-amino-6-bromophenoxy)methyl]phenol?
4-[(2-amino-6-bromophenoxy)methyl]phenol has a molecular weight of 294.15 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-bromophenoxy)methyl]phenol is sourced from PubChem (CID 81499279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).