2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol

C15H16BrNO2 — CID 107712137

IUPAC2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
SMILESNc1cccc(Br)c1COc1ccccc1CCO
InChIInChI=1S/C15H16BrNO2/c16-13-5-3-6-14(17)12(13)10-19-15-7-2-1-4-11(15)8-9-18/h1-7,18H,8-10,17H2
InChIKeyYOOQGYKLUXNHOY-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol

2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol (PubChem CID 107712137) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
PubChem CID107712137
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
SMILESNc1cccc(Br)c1COc1ccccc1CCO
InChIInChI=1S/C15H16BrNO2/c16-13-5-3-6-14(17)12(13)10-19-15-7-2-1-4-11(15)8-9-18/h1-7,18H,8-10,17H2
InChIKeyYOOQGYKLUXNHOY-UHFFFAOYSA-N
XLogP3.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.15
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

2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]ethanol
CID 107713072
2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
CID 107708545
2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
CID 107712248
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
CID 107712120
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-[2-[(4-amino-3-fluorophenyl)methoxy]phenyl]ethanol
CID 107712163
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891
2-[2-[(6-hydrazinyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 107714111
3-bromo-2-(methoxymethyl)aniline
CID 43349731
3-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]aniline
CID 102980462

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol (CID 107712137) is 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol is Nc1cccc(Br)c1COc1ccccc1CCO.
What is the InChIKey of 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol?
The InChIKey is YOOQGYKLUXNHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-13-5-3-6-14(17)12(13)10-19-15-7-2-1-4-11(15)8-9-18/h1-7,18H,8-10,17H2.
What are the key properties of 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol?
2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107712137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).