1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol

C15H16BrNO2 — CID 82828391

IUPAC1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol
SMILESNc1cccc(C(O)COCc2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO2/c16-14-7-2-1-4-12(14)9-19-10-15(18)11-5-3-6-13(17)8-11/h1-8,15,18H,9-10,17H2
InChIKeyNPZHKTNWSHQGLS-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.28
Rot. Bonds5

About 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol

1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol (PubChem CID 82828391) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol
PubChem CID82828391
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol
SMILESNc1cccc(C(O)COCc2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO2/c16-14-7-2-1-4-12(14)9-19-10-15(18)11-5-3-6-13(17)8-11/h1-8,15,18H,9-10,17H2
InChIKeyNPZHKTNWSHQGLS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

1-(3-aminophenyl)-2-[(2-fluorophenyl)methoxy]ethanol
CID 63932629
1-(3-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
CID 82828468
1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
CID 62268993
3-[3-[(2-bromophenyl)methoxy]propoxy]aniline
CID 82827981
1-(3-aminophenyl)-2-(2-cyclopropylethoxy)ethanol
CID 106199970
1-(2-aminophenoxy)-3-[(2-bromophenyl)methoxy]propan-2-ol
CID 82804127
2-[(2-fluorophenyl)methoxy]-1-phenylethanol
CID 63937773
2-(3-aminophenyl)-N-[(2-bromophenyl)methyl]propanamide
CID 106591203
1-(3-aminophenyl)-2-(2-chlorophenoxy)ethanol
CID 62264762
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol (CID 82828391) is 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol is Nc1cccc(C(O)COCc2ccccc2Br)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol?
The InChIKey is NPZHKTNWSHQGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-14-7-2-1-4-12(14)9-19-10-15(18)11-5-3-6-13(17)8-11/h1-8,15,18H,9-10,17H2.
What are the key properties of 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol?
1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol has a molecular weight of 322.20 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[(2-bromophenyl)methoxy]ethanol is sourced from PubChem (CID 82828391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).