1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride

C9H13BrClN — CID 155978040

IUPAC1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride
SMILESCc1c(Br)cccc1C(C)N.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-6-8(7(2)11)4-3-5-9(6)10;/h3-5,7H,11H2,1-2H3;1H
InChIKeyBOEQZVWMIFTBCW-UHFFFAOYSA-N
MW250.57 g/mol
LogP3.20
Rot. Bonds1

About 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride

1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride (PubChem CID 155978040) has the molecular formula C9H13BrClN and a molecular weight of 250.57 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride
PubChem CID155978040
Molecular FormulaC9H13BrClN
Molecular Weight250.57 g/mol
Exact Mass248.99
IUPAC Name1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride
SMILESCc1c(Br)cccc1C(C)N.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-6-8(7(2)11)4-3-5-9(6)10;/h3-5,7H,11H2,1-2H3;1H
InChIKeyBOEQZVWMIFTBCW-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Bromophenethylamine
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3-Bromobenzylamine hydrochloride
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3-Bromoamphetamine
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(R)-4-bromo-alpha-methylbenzylamine
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CID 56673910
1-(2-Bromophenyl)methanamine hydrochloride
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2-Bromomethamphetamine
CID 107262

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride (CID 155978040) is 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride is Cc1c(Br)cccc1C(C)N.Cl.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride?
The InChIKey is BOEQZVWMIFTBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.ClH/c1-6-8(7(2)11)4-3-5-9(6)10;/h3-5,7H,11H2,1-2H3;1H.
What are the key properties of 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride?
1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride has a molecular weight of 250.57 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 155978040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).