5-(2-aminoethyl)-2-bromo-4-methylphenol

C9H12BrNO — CID 84793488

IUPAC5-(2-aminoethyl)-2-bromo-4-methylphenol
SMILESCc1cc(Br)c(O)cc1CCN
InChIInChI=1S/C9H12BrNO/c1-6-4-8(10)9(12)5-7(6)2-3-11/h4-5,12H,2-3,11H2,1H3
InChIKeyGKNGTISAYUSIBN-UHFFFAOYSA-N
MW230.10 g/mol
LogP1.96
Rot. Bonds2

About 5-(2-aminoethyl)-2-bromo-4-methylphenol

5-(2-aminoethyl)-2-bromo-4-methylphenol (PubChem CID 84793488) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-bromo-4-methylphenol.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-bromo-4-methylphenol
PubChem CID84793488
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name5-(2-aminoethyl)-2-bromo-4-methylphenol
SMILESCc1cc(Br)c(O)cc1CCN
InChIInChI=1S/C9H12BrNO/c1-6-4-8(10)9(12)5-7(6)2-3-11/h4-5,12H,2-3,11H2,1H3
InChIKeyGKNGTISAYUSIBN-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

2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
5-(2-aminoethyl)benzene-1,2,3,4-tetrol
CID 71395914
4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
CID 117398550
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
5-(2-aminoethyl)benzene-1,2,4-triol chloride
CID 23615875
2-[2-(4-bromo-2,5-dimethylphenyl)ethoxy]ethanamine
CID 65305826
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
2-bromo-4-fluoro-5-methylphenol
CID 84672831
2-(2-aminoethyl)-5-methylphenol
CID 55254754
2-[3-(2-aminoethyl)-4-methylphenyl]phenol
CID 115036227

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-bromo-4-methylphenol?
The IUPAC name of 5-(2-aminoethyl)-2-bromo-4-methylphenol (CID 84793488) is 5-(2-aminoethyl)-2-bromo-4-methylphenol.
What is the SMILES notation for 5-(2-aminoethyl)-2-bromo-4-methylphenol?
The canonical SMILES for 5-(2-aminoethyl)-2-bromo-4-methylphenol is Cc1cc(Br)c(O)cc1CCN.
What is the InChIKey of 5-(2-aminoethyl)-2-bromo-4-methylphenol?
The InChIKey is GKNGTISAYUSIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6-4-8(10)9(12)5-7(6)2-3-11/h4-5,12H,2-3,11H2,1H3.
What are the key properties of 5-(2-aminoethyl)-2-bromo-4-methylphenol?
5-(2-aminoethyl)-2-bromo-4-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 5-(2-aminoethyl)-2-bromo-4-methylphenol is sourced from PubChem (CID 84793488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).