(1R)-1-(2-bromophenyl)ethanamine;hydrochloride

C8H11BrClN — CID 71755832

IUPAC(1R)-1-(2-bromophenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1ccccc1Br.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H/t6-;/m1./s1
InChIKeyMPTGUFFHOKLEFK-FYZOBXCZSA-N
MW236.54 g/mol
LogP2.89
Rot. Bonds1

About (1R)-1-(2-bromophenyl)ethanamine;hydrochloride

(1R)-1-(2-bromophenyl)ethanamine;hydrochloride (PubChem CID 71755832) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)ethanamine;hydrochloride
PubChem CID71755832
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name(1R)-1-(2-bromophenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1ccccc1Br.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H/t6-;/m1./s1
InChIKeyMPTGUFFHOKLEFK-FYZOBXCZSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(2-bromophenyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenethylamine
CID 7408
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
4-Bromo-alpha-methylbenzeneethanamine
CID 205668
4-Bromobenzylamine
CID 77571
1-(4-Bromophenyl)ethylamine
CID 91175
Benzenemethanamine, 3-bromo-
CID 457587
(2-Bromo-5-fluorophenyl)methanamine
CID 2773357
(1S)-1-phenylpropan-1-amine
CID 6993773
1-Phenylpropan-1-amine
CID 18054
2-Bromobenzylamine
CID 334072
2-Bromo-N-methylbenzylamine
CID 522360

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromophenyl)ethanamine;hydrochloride (CID 71755832) is (1R)-1-(2-bromophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromophenyl)ethanamine;hydrochloride is C[C@@H](N)c1ccccc1Br.Cl.
What is the InChIKey of (1R)-1-(2-bromophenyl)ethanamine;hydrochloride?
The InChIKey is MPTGUFFHOKLEFK-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-6(10)7-4-2-3-5-8(7)9;/h2-6H,10H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(2-bromophenyl)ethanamine;hydrochloride?
(1R)-1-(2-bromophenyl)ethanamine;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 71755832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).