2-(benzylamino)-1-(4-bromophenyl)ethanol

C15H16BrNO — CID 58097889

IUPAC2-(benzylamino)-1-(4-bromophenyl)ethanol
SMILESOC(CNCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c16-14-8-6-13(7-9-14)15(18)11-17-10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyGZFWXAXTKVREAA-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.27
Rot. Bonds5

About 2-(benzylamino)-1-(4-bromophenyl)ethanol

2-(benzylamino)-1-(4-bromophenyl)ethanol (PubChem CID 58097889) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-(benzylamino)-1-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-(4-bromophenyl)ethanol
PubChem CID58097889
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-(benzylamino)-1-(4-bromophenyl)ethanol
SMILESOC(CNCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c16-14-8-6-13(7-9-14)15(18)11-17-10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2
InChIKeyGZFWXAXTKVREAA-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(4-bromophenyl)ethanol?
The IUPAC name of 2-(benzylamino)-1-(4-bromophenyl)ethanol (CID 58097889) is 2-(benzylamino)-1-(4-bromophenyl)ethanol.
What is the SMILES notation for 2-(benzylamino)-1-(4-bromophenyl)ethanol?
The canonical SMILES for 2-(benzylamino)-1-(4-bromophenyl)ethanol is OC(CNCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(benzylamino)-1-(4-bromophenyl)ethanol?
The InChIKey is GZFWXAXTKVREAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-14-8-6-13(7-9-14)15(18)11-17-10-12-4-2-1-3-5-12/h1-9,15,17-18H,10-11H2.
What are the key properties of 2-(benzylamino)-1-(4-bromophenyl)ethanol?
2-(benzylamino)-1-(4-bromophenyl)ethanol has a molecular weight of 306.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(4-bromophenyl)ethanol is sourced from PubChem (CID 58097889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).