(1R)-1-(2-bromo-6-chlorophenyl)ethanamine

C8H9BrClN — CID 130968340

IUPAC(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
SMILESC[C@@H](N)c1c(Cl)cccc1Br
InChIInChI=1S/C8H9BrClN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKeyRSQBBPQGUYFSIM-RXMQYKEDSA-N
MW234.52 g/mol
LogP3.12
Rot. Bonds1

About (1R)-1-(2-bromo-6-chlorophenyl)ethanamine

(1R)-1-(2-bromo-6-chlorophenyl)ethanamine (PubChem CID 130968340) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is (1R)-1-(2-bromo-6-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
PubChem CID130968340
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name(1R)-1-(2-bromo-6-chlorophenyl)ethanamine
SMILESC[C@@H](N)c1c(Cl)cccc1Br
InChIInChI=1S/C8H9BrClN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKeyRSQBBPQGUYFSIM-RXMQYKEDSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
CID 131086535
3-(2-bromo-6-chlorophenyl)-2-methylbutan-1-amine
CID 130505913
methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
CID 131421509
2-(1-aminoethyl)-3-bromo-N,N-dimethylaniline
CID 117110973
1-(6-bromo-2-chloro-3-fluorophenyl)ethanamine
CID 130002531
1-(2,6-dibromophenyl)propane-1,2-diamine
CID 20546210
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021
1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114269048
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-6-chlorophenyl)ethanamine?
The IUPAC name of (1R)-1-(2-bromo-6-chlorophenyl)ethanamine (CID 130968340) is (1R)-1-(2-bromo-6-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-bromo-6-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-bromo-6-chlorophenyl)ethanamine is C[C@@H](N)c1c(Cl)cccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-6-chlorophenyl)ethanamine?
The InChIKey is RSQBBPQGUYFSIM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9BrClN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-6-chlorophenyl)ethanamine?
(1R)-1-(2-bromo-6-chlorophenyl)ethanamine has a molecular weight of 234.52 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-6-chlorophenyl)ethanamine is sourced from PubChem (CID 130968340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).