2-(aminomethyl)-3-bromo-4-methylphenol

C8H10BrNO — CID 84784553

IUPAC2-(aminomethyl)-3-bromo-4-methylphenol
SMILESCc1ccc(O)c(CN)c1Br
InChIInChI=1S/C8H10BrNO/c1-5-2-3-7(11)6(4-10)8(5)9/h2-3,11H,4,10H2,1H3
InChIKeyCBXLKTGZCOKZNI-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.92
Rot. Bonds1

About 2-(aminomethyl)-3-bromo-4-methylphenol

2-(aminomethyl)-3-bromo-4-methylphenol (PubChem CID 84784553) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-(aminomethyl)-3-bromo-4-methylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-3-bromo-4-methylphenol
PubChem CID84784553
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-(aminomethyl)-3-bromo-4-methylphenol
SMILESCc1ccc(O)c(CN)c1Br
InChIInChI=1S/C8H10BrNO/c1-5-2-3-7(11)6(4-10)8(5)9/h2-3,11H,4,10H2,1H3
InChIKeyCBXLKTGZCOKZNI-UHFFFAOYSA-N
XLogP1.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropyl)-3-bromo-4-methylphenol
CID 84802468
2-(aminomethyl)-3-methylphenol;dihydrochloride
CID 23210549
2-(2-bromo-6-hydroxy-3-methylphenyl)-3-methylbutanoic acid
CID 84813993
3-bromo-2-fluoro-4-methylphenol
CID 125116434
4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548
2-bromo-6-hydroxy-3-methylbenzoic acid
CID 84794088
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
2-(2-aminoethyl)-3-chloro-4-methylphenol
CID 84769890
2-(1-aminocyclopropyl)-3-bromo-4-methylphenol
CID 84801516
2-(3-aminopropyl)-3-bromo-4-fluorophenol
CID 83900223
2-(aminomethyl)-3-chloro-6-methylphenol
CID 84766114
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-bromo-4-methylphenol?
The IUPAC name of 2-(aminomethyl)-3-bromo-4-methylphenol (CID 84784553) is 2-(aminomethyl)-3-bromo-4-methylphenol.
What is the SMILES notation for 2-(aminomethyl)-3-bromo-4-methylphenol?
The canonical SMILES for 2-(aminomethyl)-3-bromo-4-methylphenol is Cc1ccc(O)c(CN)c1Br.
What is the InChIKey of 2-(aminomethyl)-3-bromo-4-methylphenol?
The InChIKey is CBXLKTGZCOKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-2-3-7(11)6(4-10)8(5)9/h2-3,11H,4,10H2,1H3.
What are the key properties of 2-(aminomethyl)-3-bromo-4-methylphenol?
2-(aminomethyl)-3-bromo-4-methylphenol has a molecular weight of 216.08 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-bromo-4-methylphenol is sourced from PubChem (CID 84784553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).