2-phenylethenamine;hydrobromide

C8H10BrN — CID 175408568

IUPAC2-phenylethenamine;hydrobromide
SMILESBr.NC=Cc1ccccc1
InChIInChI=1S/C8H9N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-7H,9H2;1H
InChIKeySQYKWNNGNZQPSO-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.19
Rot. Bonds1

About 2-phenylethenamine;hydrobromide

2-phenylethenamine;hydrobromide (PubChem CID 175408568) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-phenylethenamine;hydrobromide.

Molecular Properties

Compound Name2-phenylethenamine;hydrobromide
PubChem CID175408568
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2-phenylethenamine;hydrobromide
SMILESBr.NC=Cc1ccccc1
InChIInChI=1S/C8H9N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-7H,9H2;1H
InChIKeySQYKWNNGNZQPSO-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethenamine;hydrobromide?
The IUPAC name of 2-phenylethenamine;hydrobromide (CID 175408568) is 2-phenylethenamine;hydrobromide.
What is the SMILES notation for 2-phenylethenamine;hydrobromide?
The canonical SMILES for 2-phenylethenamine;hydrobromide is Br.NC=Cc1ccccc1.
What is the InChIKey of 2-phenylethenamine;hydrobromide?
The InChIKey is SQYKWNNGNZQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.BrH/c9-7-6-8-4-2-1-3-5-8;/h1-7H,9H2;1H.
What are the key properties of 2-phenylethenamine;hydrobromide?
2-phenylethenamine;hydrobromide has a molecular weight of 200.08 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenamine;hydrobromide is sourced from PubChem (CID 175408568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).