2-(2-bromophenyl)ethanamine

C8H10BrN — CID 2734091

IUPAC2-(2-bromophenyl)ethanamine
SMILESNCCc1ccccc1Br
InChIInChI=1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKeyITRNQMJXZUWZQL-UHFFFAOYSA-N
MW200.08 g/mol
LogP1.95
Rot. Bonds2

About 2-(2-bromophenyl)ethanamine

2-(2-bromophenyl)ethanamine (PubChem CID 2734091) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-(2-bromophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)ethanamine
PubChem CID2734091
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2-(2-bromophenyl)ethanamine
SMILESNCCc1ccccc1Br
InChIInChI=1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKeyITRNQMJXZUWZQL-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenethylamine
CID 1001
4-Bromo-alpha-methylbenzeneethanamine
CID 205668
4-Bromobenzylamine
CID 77571
Benzenemethanamine, 3-bromo-
CID 457587
1-(4-Bromophenyl)ethylamine
CID 91175
p-Bromophenethylamine
CID 533915
(2-Bromo-5-fluorophenyl)methanamine
CID 2773357
3-Bromophenethylamine
CID 7021736
N,N-dimethyl-2-bromophenylethylamine
CID 151465
2-Bromobenzylamine
CID 334072
2-Bromo-N-methylbenzylamine
CID 522360
2-Phenylethanaminium
CID 448751

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)ethanamine (CID 2734091) is 2-(2-bromophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)ethanamine is NCCc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)ethanamine?
The InChIKey is ITRNQMJXZUWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2.
What are the key properties of 2-(2-bromophenyl)ethanamine?
2-(2-bromophenyl)ethanamine has a molecular weight of 200.08 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)ethanamine is sourced from PubChem (CID 2734091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).