6-(2-aminoethyl)-2-bromo-3-methylphenol

C9H12BrNO — CID 84693265

IUPAC6-(2-aminoethyl)-2-bromo-3-methylphenol
SMILESCc1ccc(CCN)c(O)c1Br
InChIInChI=1S/C9H12BrNO/c1-6-2-3-7(4-5-11)9(12)8(6)10/h2-3,12H,4-5,11H2,1H3
InChIKeyAODNBBFQCQCNHT-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.96
Rot. Bonds2

About 6-(2-aminoethyl)-2-bromo-3-methylphenol

6-(2-aminoethyl)-2-bromo-3-methylphenol (PubChem CID 84693265) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-bromo-3-methylphenol
PubChem CID84693265
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name6-(2-aminoethyl)-2-bromo-3-methylphenol
SMILESCc1ccc(CCN)c(O)c1Br
InChIInChI=1S/C9H12BrNO/c1-6-2-3-7(4-5-11)9(12)8(6)10/h2-3,12H,4-5,11H2,1H3
InChIKeyAODNBBFQCQCNHT-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84709646
2-bromo-3-methyl-6-(methylaminomethyl)phenol
CID 84693267
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422
2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
(3-bromo-2-hydroxy-4-methylphenyl)methanesulfonyl chloride
CID 117482561
2-(3-aminopropyl)-3-bromo-4-methylphenol
CID 84802468
3-(3-bromo-2-hydroxy-4-methylphenyl)-2-methylpropanoic acid
CID 84713491
3-(2-aminooxyethyl)-2-bromo-6-methylphenol
CID 117366968
5-(2-aminoethyl)-2-bromo-4-methylphenol
CID 84793488
2-(2-aminoethyl)-5-methylphenol
CID 55254754
2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-2-bromo-3-methylphenol?
The IUPAC name of 6-(2-aminoethyl)-2-bromo-3-methylphenol (CID 84693265) is 6-(2-aminoethyl)-2-bromo-3-methylphenol.
What is the SMILES notation for 6-(2-aminoethyl)-2-bromo-3-methylphenol?
The canonical SMILES for 6-(2-aminoethyl)-2-bromo-3-methylphenol is Cc1ccc(CCN)c(O)c1Br.
What is the InChIKey of 6-(2-aminoethyl)-2-bromo-3-methylphenol?
The InChIKey is AODNBBFQCQCNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-2-3-7(4-5-11)9(12)8(6)10/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 6-(2-aminoethyl)-2-bromo-3-methylphenol?
6-(2-aminoethyl)-2-bromo-3-methylphenol has a molecular weight of 230.10 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-bromo-3-methylphenol is sourced from PubChem (CID 84693265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).