5-(aminomethyl)-2-bromo-3,6-dimethylphenol

C9H12BrNO — CID 84793496

IUPAC5-(aminomethyl)-2-bromo-3,6-dimethylphenol
SMILESCc1cc(CN)c(C)c(O)c1Br
InChIInChI=1S/C9H12BrNO/c1-5-3-7(4-11)6(2)9(12)8(5)10/h3,12H,4,11H2,1-2H3
InChIKeyWNOMTDJPYMFRLU-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.23
Rot. Bonds1

About 5-(aminomethyl)-2-bromo-3,6-dimethylphenol

5-(aminomethyl)-2-bromo-3,6-dimethylphenol (PubChem CID 84793496) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-3,6-dimethylphenol.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-3,6-dimethylphenol
PubChem CID84793496
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name5-(aminomethyl)-2-bromo-3,6-dimethylphenol
SMILESCc1cc(CN)c(C)c(O)c1Br
InChIInChI=1S/C9H12BrNO/c1-5-3-7(4-11)6(2)9(12)8(5)10/h3,12H,4,11H2,1-2H3
InChIKeyWNOMTDJPYMFRLU-UHFFFAOYSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-bromo-3,6-dimethylphenol
CID 84784556
2,6-dibromo-3,5-dimethylphenol
CID 10660357
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500
2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
CID 178200410
(2-bromo-4,5-dimethylphenyl)methanamine
CID 82627715
4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol
CID 84770587
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
1-(4-bromo-3-hydroxy-2,5-dimethylphenyl)ethanone
CID 84801902
4-bromo-3-hydroxy-2,5-dimethylbenzoic acid
CID 84802761
4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol
CID 117110781

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-3,6-dimethylphenol?
The IUPAC name of 5-(aminomethyl)-2-bromo-3,6-dimethylphenol (CID 84793496) is 5-(aminomethyl)-2-bromo-3,6-dimethylphenol.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-3,6-dimethylphenol?
The canonical SMILES for 5-(aminomethyl)-2-bromo-3,6-dimethylphenol is Cc1cc(CN)c(C)c(O)c1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-3,6-dimethylphenol?
The InChIKey is WNOMTDJPYMFRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-5-3-7(4-11)6(2)9(12)8(5)10/h3,12H,4,11H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-3,6-dimethylphenol?
5-(aminomethyl)-2-bromo-3,6-dimethylphenol has a molecular weight of 230.10 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-3,6-dimethylphenol is sourced from PubChem (CID 84793496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).