4-(aminomethyl)-2-methoxyphenol;hydrobromide

C8H12BrNO2 — CID 68756614

IUPAC4-(aminomethyl)-2-methoxyphenol;hydrobromide
SMILESBr.COc1cc(CN)ccc1O
InChIInChI=1S/C8H11NO2.BrH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H
InChIKeyLTBNCTDZQNSJKO-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.44
Rot. Bonds2

About 4-(aminomethyl)-2-methoxyphenol;hydrobromide

4-(aminomethyl)-2-methoxyphenol;hydrobromide (PubChem CID 68756614) has the molecular formula C8H12BrNO2 and a molecular weight of 234.09 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxyphenol;hydrobromide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxyphenol;hydrobromide
PubChem CID68756614
Molecular FormulaC8H12BrNO2
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name4-(aminomethyl)-2-methoxyphenol;hydrobromide
SMILESBr.COc1cc(CN)ccc1O
InChIInChI=1S/C8H11NO2.BrH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H
InChIKeyLTBNCTDZQNSJKO-UHFFFAOYSA-N
XLogP1.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
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5-(aminomethyl)-2-methoxyphenol
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4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
CID 82023643
1-ethyl-4-isocyano-2-methoxybenzene;(4-ethyl-3-methoxyphenyl)methanamine;4-isocyano-2-methoxyphenol;hydrochloride
CID 162198527
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxyphenol;hydrobromide?
The IUPAC name of 4-(aminomethyl)-2-methoxyphenol;hydrobromide (CID 68756614) is 4-(aminomethyl)-2-methoxyphenol;hydrobromide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxyphenol;hydrobromide?
The canonical SMILES for 4-(aminomethyl)-2-methoxyphenol;hydrobromide is Br.COc1cc(CN)ccc1O.
What is the InChIKey of 4-(aminomethyl)-2-methoxyphenol;hydrobromide?
The InChIKey is LTBNCTDZQNSJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.BrH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-2-methoxyphenol;hydrobromide?
4-(aminomethyl)-2-methoxyphenol;hydrobromide has a molecular weight of 234.09 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methoxyphenol;hydrobromide is sourced from PubChem (CID 68756614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).