(4-bromo-3-methylphenyl)methanamine;hydrochloride

C8H11BrClN — CID 23500408

IUPAC(4-bromo-3-methylphenyl)methanamine;hydrochloride
SMILESCc1cc(CN)ccc1Br.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6-4-7(5-10)2-3-8(6)9;/h2-4H,5,10H2,1H3;1H
InChIKeyZKXAYXQUEHWTIC-UHFFFAOYSA-N
MW236.54 g/mol
LogP2.64
Rot. Bonds1

About (4-bromo-3-methylphenyl)methanamine;hydrochloride

(4-bromo-3-methylphenyl)methanamine;hydrochloride (PubChem CID 23500408) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)methanamine;hydrochloride
PubChem CID23500408
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name(4-bromo-3-methylphenyl)methanamine;hydrochloride
SMILESCc1cc(CN)ccc1Br.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6-4-7(5-10)2-3-8(6)9;/h2-4H,5,10H2,1H3;1H
InChIKeyZKXAYXQUEHWTIC-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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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (4-bromo-3-methylphenyl)methanamine;hydrochloride (CID 23500408) is (4-bromo-3-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-bromo-3-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-bromo-3-methylphenyl)methanamine;hydrochloride is Cc1cc(CN)ccc1Br.Cl.
What is the InChIKey of (4-bromo-3-methylphenyl)methanamine;hydrochloride?
The InChIKey is ZKXAYXQUEHWTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-6-4-7(5-10)2-3-8(6)9;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (4-bromo-3-methylphenyl)methanamine;hydrochloride?
(4-bromo-3-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 (4-bromo-3-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 23500408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).