(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride

C8H10Br2ClN — CID 171233549

IUPAC(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1cc(Br)cc(Br)c1.Cl
InChIInChI=1S/C8H9Br2N.ClH/c1-5(11)6-2-7(9)4-8(10)3-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKeyFNEUDKJSLPEXNS-JEDNCBNOSA-N
MW315.44 g/mol
LogP3.65
Rot. Bonds1

About (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride

(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride (PubChem CID 171233549) has the molecular formula C8H10Br2ClN and a molecular weight of 315.44 g/mol. Its IUPAC name is (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
PubChem CID171233549
Molecular FormulaC8H10Br2ClN
Molecular Weight315.44 g/mol
Exact Mass312.89
IUPAC Name(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1cc(Br)cc(Br)c1.Cl
InChIInChI=1S/C8H9Br2N.ClH/c1-5(11)6-2-7(9)4-8(10)3-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChIKeyFNEUDKJSLPEXNS-JEDNCBNOSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dibromophenyl)ethanamine
CID 23147757
1-(3-bromo-5-propan-2-ylphenyl)ethanamine;hydrochloride
CID 137347003
1-(3,4,5-tribromophenyl)ethanamine
CID 130135537
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(5-bromo-3-pyridinyl)ethanamine;dihydrochloride
CID 138110830
(3,5-dibromophenyl)methanediamine
CID 141415673
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
(1R)-1-(3,5-dibromophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171213951
(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol
CID 171270900
(1S)-1-(3,5-dibromophenyl)ethane-1,2-diamine;hydrochloride
CID 171213915
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride (CID 171233549) is (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride is C[C@H](N)c1cc(Br)cc(Br)c1.Cl.
What is the InChIKey of (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride?
The InChIKey is FNEUDKJSLPEXNS-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9Br2N.ClH/c1-5(11)6-2-7(9)4-8(10)3-6;/h2-5H,11H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride?
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride has a molecular weight of 315.44 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171233549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).