2-(4-bromophenyl)-2-phenylethanamine

C14H14BrN — CID 25139019

IUPAC2-(4-bromophenyl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKeyUFQBLLHPZKGJGQ-UHFFFAOYSA-N
MW276.18 g/mol
LogP3.54
Rot. Bonds3

About 2-(4-bromophenyl)-2-phenylethanamine

2-(4-bromophenyl)-2-phenylethanamine (PubChem CID 25139019) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-phenylethanamine
PubChem CID25139019
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name2-(4-bromophenyl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKeyUFQBLLHPZKGJGQ-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-phenylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-phenylethanamine (CID 25139019) is 2-(4-bromophenyl)-2-phenylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-phenylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-phenylethanamine is NCC(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-phenylethanamine?
The InChIKey is UFQBLLHPZKGJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2.
What are the key properties of 2-(4-bromophenyl)-2-phenylethanamine?
2-(4-bromophenyl)-2-phenylethanamine has a molecular weight of 276.18 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-phenylethanamine is sourced from PubChem (CID 25139019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).