(1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride

C8H10BrCl2N — CID 139022360

IUPAC(1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-5(11)7-4-6(10)2-3-8(7)9;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChIKeyGHUCEQNUDZECER-NUBCRITNSA-N
MW270.99 g/mol
LogP3.54
Rot. Bonds1

About (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride

(1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride (PubChem CID 139022360) has the molecular formula C8H10BrCl2N and a molecular weight of 270.99 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride
PubChem CID139022360
Molecular FormulaC8H10BrCl2N
Molecular Weight270.99 g/mol
Exact Mass268.94
IUPAC Name(1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1cc(Cl)ccc1Br.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-5(11)7-4-6(10)2-3-8(7)9;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
InChIKeyGHUCEQNUDZECER-NUBCRITNSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.99
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-1-(3-chlorophenyl)ethanamine
CID 2507697
1-(2-Bromophenyl)ethan-1-amine
CID 3825290
1-(3-Chlorophenyl)ethan-1-amine
CID 5006170
(S)-1-(3-chlorophenyl)ethanamine
CID 2507691
(R)-1-(3-Chlorophenyl)propan-1-amine
CID 25755127
(alphaS)-3-Chloro-alpha-ethylbenzenemethanamine
CID 25755129
(1R)-1-(3-chlorophenyl)ethan-1-amine hydrochloride
CID 45072353
(1S)-1-(3-chlorophenyl)ethan-1-amine hydrochloride
CID 45072354
(2-Bromo-5-chlorophenyl)methanamine
CID 65811418
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
(1R)-1-(2-bromophenyl)ethan-1-amine hydrochloride
CID 71755832
(1S)-1-(2-bromophenyl)ethan-1-amine hydrochloride
CID 71755834

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride (CID 139022360) is (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride is C[C@@H](N)c1cc(Cl)ccc1Br.Cl.
What is the InChIKey of (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride?
The InChIKey is GHUCEQNUDZECER-NUBCRITNSA-N. The full InChI is InChI=1S/C8H9BrClN.ClH/c1-5(11)7-4-6(10)2-3-8(7)9;/h2-5H,11H2,1H3;1H/t5-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride?
(1R)-1-(2-bromo-5-chlorophenyl)ethanamine;hydrochloride has a molecular weight of 270.99 g/mol, XLogP of 3.54, 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-5-chlorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 139022360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).