2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine

C14H13BrClNO — CID 55022574

IUPAC2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine
SMILESNCC(Oc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H13BrClNO/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14H,9,17H2
InChIKeyNVJULJAKWAAHTG-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine

2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine (PubChem CID 55022574) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine
PubChem CID55022574
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine
SMILESNCC(Oc1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H13BrClNO/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14H,9,17H2
InChIKeyNVJULJAKWAAHTG-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine (CID 55022574) is 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine is NCC(Oc1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine?
The InChIKey is NVJULJAKWAAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-11-6-2-4-8-13(11)18-14(9-17)10-5-1-3-7-12(10)16/h1-8,14H,9,17H2.
What are the key properties of 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine?
2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine has a molecular weight of 326.62 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 55022574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).