(5-bromo-2-methylphenyl)methanamine;hydrochloride

C8H11BrClN — CID 75481848

IUPAC(5-bromo-2-methylphenyl)methanamine;hydrochloride
SMILESCc1ccc(Br)cc1CN.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6-2-3-8(9)4-7(6)5-10;/h2-4H,5,10H2,1H3;1H
InChIKeyVJRUQXPKMYPRQG-UHFFFAOYSA-N
MW236.54 g/mol
LogP2.64
Rot. Bonds1

About (5-bromo-2-methylphenyl)methanamine;hydrochloride

(5-bromo-2-methylphenyl)methanamine;hydrochloride (PubChem CID 75481848) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)methanamine;hydrochloride
PubChem CID75481848
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name(5-bromo-2-methylphenyl)methanamine;hydrochloride
SMILESCc1ccc(Br)cc1CN.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6-2-3-8(9)4-7(6)5-10;/h2-4H,5,10H2,1H3;1H
InChIKeyVJRUQXPKMYPRQG-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20595135
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[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
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[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
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(4-bromo-2-ethylphenyl)methanamine;ethane
CID 143720701
3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine
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(2R)-4-(5-bromo-2-methylphenyl)butan-2-amine
CID 131320571
(5-bromo-2-methylphenyl)methyl-trichlorosilane
CID 69461549
2-(5-bromo-2-methylphenyl)acetonitrile
CID 12056531
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
3-(5-bromo-2-methylphenyl)propanamide
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[2-methyl-5-(4-methylphenyl)phenyl]methanamine
CID 115027522

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (5-bromo-2-methylphenyl)methanamine;hydrochloride (CID 75481848) is (5-bromo-2-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-bromo-2-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (5-bromo-2-methylphenyl)methanamine;hydrochloride is Cc1ccc(Br)cc1CN.Cl.
What is the InChIKey of (5-bromo-2-methylphenyl)methanamine;hydrochloride?
The InChIKey is VJRUQXPKMYPRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-6-2-3-8(9)4-7(6)5-10;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (5-bromo-2-methylphenyl)methanamine;hydrochloride?
(5-bromo-2-methylphenyl)methanamine;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 75481848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).