[3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride

C15H17BrClN — CID 166643067

IUPAC[3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride
SMILESCc1cccc(C)c1-c1cc(Br)cc(CN)c1.Cl
InChIInChI=1S/C15H16BrN.ClH/c1-10-4-3-5-11(2)15(10)13-6-12(9-17)7-14(16)8-13;/h3-8H,9,17H2,1-2H3;1H
InChIKeyUCYXKLRMDANARU-UHFFFAOYSA-N
MW326.67 g/mol
LogP4.61
Rot. Bonds2

About [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride

[3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride (PubChem CID 166643067) has the molecular formula C15H17BrClN and a molecular weight of 326.67 g/mol. Its IUPAC name is [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride
PubChem CID166643067
Molecular FormulaC15H17BrClN
Molecular Weight326.67 g/mol
Exact Mass325.02
IUPAC Name[3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride
SMILESCc1cccc(C)c1-c1cc(Br)cc(CN)c1.Cl
InChIInChI=1S/C15H16BrN.ClH/c1-10-4-3-5-11(2)15(10)13-6-12(9-17)7-14(16)8-13;/h3-8H,9,17H2,1-2H3;1H
InChIKeyUCYXKLRMDANARU-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.67
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride (CID 166643067) is [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride is Cc1cccc(C)c1-c1cc(Br)cc(CN)c1.Cl.
What is the InChIKey of [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride?
The InChIKey is UCYXKLRMDANARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN.ClH/c1-10-4-3-5-11(2)15(10)13-6-12(9-17)7-14(16)8-13;/h3-8H,9,17H2,1-2H3;1H.
What are the key properties of [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride?
[3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride has a molecular weight of 326.67 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(2,6-dimethylphenyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 166643067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).