(1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine

C9H9BrClN — CID 130853844

IUPAC(1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H9BrClN/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9H,1,12H2/t9-/m1/s1
InChIKeyFJRLQTMHQWFVDK-SECBINFHSA-N
MW246.53 g/mol
LogP3.29
Rot. Bonds2

About (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine

(1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine (PubChem CID 130853844) has the molecular formula C9H9BrClN and a molecular weight of 246.53 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine
PubChem CID130853844
Molecular FormulaC9H9BrClN
Molecular Weight246.53 g/mol
Exact Mass244.96
IUPAC Name(1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H9BrClN/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9H,1,12H2/t9-/m1/s1
InChIKeyFJRLQTMHQWFVDK-SECBINFHSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine 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-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171203845
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(1S)-1-(2-chloro-5-nitrophenyl)prop-2-en-1-amine
CID 131084690
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43378947
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
1-(4-bromo-2-chlorophenyl)prop-2-enylhydrazine
CID 105318088

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine (CID 130853844) is (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine is C=C[C@@H](N)c1cc(Br)ccc1Cl.
What is the InChIKey of (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine?
The InChIKey is FJRLQTMHQWFVDK-SECBINFHSA-N. The full InChI is InChI=1S/C9H9BrClN/c1-2-9(12)7-5-6(10)3-4-8(7)11/h2-5,9H,1,12H2/t9-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine?
(1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine has a molecular weight of 246.53 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-2-chlorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 130853844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).