2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol

C15H16BrNO2 — CID 107708545

IUPAC2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
SMILESNc1cccc(Br)c1COc1ccc(CCO)cc1
InChIInChI=1S/C15H16BrNO2/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7,18H,8-10,17H2
InChIKeyBWAKYPAZEOWRAC-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.15
Rot. Bonds5

About 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol

2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol (PubChem CID 107708545) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
PubChem CID107708545
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
SMILESNc1cccc(Br)c1COc1ccc(CCO)cc1
InChIInChI=1S/C15H16BrNO2/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7,18H,8-10,17H2
InChIKeyBWAKYPAZEOWRAC-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

3-bromo-2-[(4-propylphenoxy)methyl]aniline
CID 63459217
2-[2-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol
CID 107712137
2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol
CID 106264542
3-bromo-2-[(4-propan-2-ylphenoxy)methyl]aniline
CID 43168975
3-bromo-2-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460309
3-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]aniline
CID 43349754
3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline
CID 82828141
3-bromo-2-(methoxymethyl)aniline
CID 43349731
2-[4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 103520351
3-bromo-2-[(3-tert-butylphenoxy)methyl]aniline
CID 43351777
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
2-[(3-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 83233189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol (CID 107708545) is 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol is Nc1cccc(Br)c1COc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol?
The InChIKey is BWAKYPAZEOWRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-14-2-1-3-15(17)13(14)10-19-12-6-4-11(5-7-12)8-9-18/h1-7,18H,8-10,17H2.
What are the key properties of 2-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol?
2-[4-[(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-[4-[(2-amino-6-bromophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107708545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).