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

C8H10BrCl2N — CID 122360018

IUPAC1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride
SMILESCC(N)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H
InChIKeyIJFBHZWKFMOYMS-UHFFFAOYSA-N
MW270.99 g/mol
LogP3.54
Rot. Bonds1

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

1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride (PubChem CID 122360018) has the molecular formula C8H10BrCl2N and a molecular weight of 270.99 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride
PubChem CID122360018
Molecular FormulaC8H10BrCl2N
Molecular Weight270.99 g/mol
Exact Mass268.94
IUPAC Name1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride
SMILESCC(N)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C8H9BrClN.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H
InChIKeyIJFBHZWKFMOYMS-UHFFFAOYSA-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

1-(2-Chlorophenyl)ethanamine
CID 299767
(S)-1-(3-bromophenyl)ethanamine
CID 9952938
(R)-1-(3-bromophenyl)ethanamine
CID 22831503
(alphaS)-2-Chloro-alpha-methylbenzenemethanamine
CID 1551199
1-(3-Bromophenyl)ethan-1-amine hydrochloride
CID 21975861
(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
(1R)-1-(2-chlorophenyl)ethan-1-amine hydrochloride
CID 44828517
(1S)-1-(2-chlorophenyl)ethan-1-amine hydrochloride
CID 45072355
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
(R)-1-(3-Bromophenyl)ethanamine hydrochloride
CID 69062496

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride (CID 122360018) is 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride is CC(N)c1cc(Br)ccc1Cl.Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride?
The InChIKey is IJFBHZWKFMOYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H.
What are the key properties of 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride?
1-(5-bromo-2-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 1-(5-bromo-2-chlorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 122360018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).