2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol

C11H16BrNO2 — CID 62543970

IUPAC2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2/c1-15-7-6-13-11(8-14)9-2-4-10(12)5-3-9/h2-5,11,13-14H,6-8H2,1H3
InChIKeyOSFZVLGQGKIOHB-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.72
Rot. Bonds6

About 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol

2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol (PubChem CID 62543970) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
PubChem CID62543970
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
SMILESCOCCNC(CO)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO2/c1-15-7-6-13-11(8-14)9-2-4-10(12)5-3-9/h2-5,11,13-14H,6-8H2,1H3
InChIKeyOSFZVLGQGKIOHB-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
CID 113328532
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543484
2-fluoro-4-[2-hydroxy-1-(2-methoxyethylamino)ethyl]phenol
CID 107693476
2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 106531859
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)ethanol
CID 55084367
(2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol
CID 135338076
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 62542209
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol?
The IUPAC name of 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol (CID 62543970) is 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol is COCCNC(CO)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol?
The InChIKey is OSFZVLGQGKIOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-15-7-6-13-11(8-14)9-2-4-10(12)5-3-9/h2-5,11,13-14H,6-8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol?
2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol has a molecular weight of 274.16 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol is sourced from PubChem (CID 62543970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).