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

C15H16BrNO2 — CID 82828389

IUPAC1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
SMILESNc1ccccc1C(O)COCc1cccc(Br)c1
InChIInChI=1S/C15H16BrNO2/c16-12-5-3-4-11(8-12)9-19-10-15(18)13-6-1-2-7-14(13)17/h1-8,15,18H,9-10,17H2
InChIKeyPQVXCQPHKVIMPM-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.28
Rot. Bonds5

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

1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol (PubChem CID 82828389) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
PubChem CID82828389
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
SMILESNc1ccccc1C(O)COCc1cccc(Br)c1
InChIInChI=1S/C15H16BrNO2/c16-12-5-3-4-11(8-12)9-19-10-15(18)13-6-1-2-7-14(13)17/h1-8,15,18H,9-10,17H2
InChIKeyPQVXCQPHKVIMPM-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-(2-aminophenyl)-2-[(3-methoxyphenyl)methoxy]ethanol
CID 62268099
1-(3-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
CID 82828468
1-(3-aminophenoxy)-3-[(3-bromophenyl)methoxy]propan-2-ol
CID 82804779
1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol
CID 82828408
1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol
CID 63216911
methyl 2-bromo-3-[(3-bromophenyl)methoxy]propanoate
CID 82828519
3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
CID 82825431
1-(2-aminophenyl)-2-(4-bromophenyl)ethanol
CID 64832586
3-[(3-bromophenyl)methoxymethyl]-2-fluoroaniline
CID 107348000
1-(2-aminophenyl)-2-(3-ethylphenoxy)ethanol
CID 62267926
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol (CID 82828389) is 1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol is Nc1ccccc1C(O)COCc1cccc(Br)c1.
What is the InChIKey of 1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol?
The InChIKey is PQVXCQPHKVIMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-12-5-3-4-11(8-12)9-19-10-15(18)13-6-1-2-7-14(13)17/h1-8,15,18H,9-10,17H2.
What are the key properties of 1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol?
1-(2-aminophenyl)-2-[(3-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-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol is sourced from PubChem (CID 82828389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).