4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol

C10H14BrNO — CID 117110781

IUPAC4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol
SMILESCc1c(C)c(CN)c(C)c(Br)c1O
InChIInChI=1S/C10H14BrNO/c1-5-6(2)10(13)9(11)7(3)8(5)4-12/h13H,4,12H2,1-3H3
InChIKeyDUNTVHDDMPXDEX-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.54
Rot. Bonds1

About 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol

4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol (PubChem CID 117110781) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol
PubChem CID117110781
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol
SMILESCc1c(C)c(CN)c(C)c(Br)c1O
InChIInChI=1S/C10H14BrNO/c1-5-6(2)10(13)9(11)7(3)8(5)4-12/h13H,4,12H2,1-3H3
InChIKeyDUNTVHDDMPXDEX-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol?
The IUPAC name of 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol (CID 117110781) is 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol?
The canonical SMILES for 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol is Cc1c(C)c(CN)c(C)c(Br)c1O.
What is the InChIKey of 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol?
The InChIKey is DUNTVHDDMPXDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-5-6(2)10(13)9(11)7(3)8(5)4-12/h13H,4,12H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol?
4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol has a molecular weight of 244.13 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol is sourced from PubChem (CID 117110781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).