3-(aminomethyl)-6-bromo-2-methoxyphenol

C8H10BrNO2 — CID 117335662

IUPAC3-(aminomethyl)-6-bromo-2-methoxyphenol
SMILESCOc1c(CN)ccc(Br)c1O
InChIInChI=1S/C8H10BrNO2/c1-12-8-5(4-10)2-3-6(9)7(8)11/h2-3,11H,4,10H2,1H3
InChIKeyNEZLEHGCFKZSAM-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.62
Rot. Bonds2

About 3-(aminomethyl)-6-bromo-2-methoxyphenol

3-(aminomethyl)-6-bromo-2-methoxyphenol (PubChem CID 117335662) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-(aminomethyl)-6-bromo-2-methoxyphenol.

Molecular Properties

Compound Name3-(aminomethyl)-6-bromo-2-methoxyphenol
PubChem CID117335662
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name3-(aminomethyl)-6-bromo-2-methoxyphenol
SMILESCOc1c(CN)ccc(Br)c1O
InChIInChI=1S/C8H10BrNO2/c1-12-8-5(4-10)2-3-6(9)7(8)11/h2-3,11H,4,10H2,1H3
InChIKeyNEZLEHGCFKZSAM-UHFFFAOYSA-N
XLogP1.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-amino-2-methylpropyl)-6-bromo-2-methoxyphenol
CID 117437685
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
3-(aminomethyl)-6-bromo-2-fluorophenol
CID 118845822
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
4-bromo-3-hydroxy-2-methoxybenzonitrile
CID 117328110
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol
CID 83904177
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401
1-bromo-4-(chloromethyl)-3-iodo-2-methoxybenzene
CID 171010289
3-(4-bromo-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117487920
2-bromonaphthalen-1-ol;methoxymethane
CID 174734204
6-bromo-2-(3-bromo-2-hydroxy-6-methoxyphenyl)-3-methoxyphenol
CID 101087040

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-bromo-2-methoxyphenol?
The IUPAC name of 3-(aminomethyl)-6-bromo-2-methoxyphenol (CID 117335662) is 3-(aminomethyl)-6-bromo-2-methoxyphenol.
What is the SMILES notation for 3-(aminomethyl)-6-bromo-2-methoxyphenol?
The canonical SMILES for 3-(aminomethyl)-6-bromo-2-methoxyphenol is COc1c(CN)ccc(Br)c1O.
What is the InChIKey of 3-(aminomethyl)-6-bromo-2-methoxyphenol?
The InChIKey is NEZLEHGCFKZSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-12-8-5(4-10)2-3-6(9)7(8)11/h2-3,11H,4,10H2,1H3.
What are the key properties of 3-(aminomethyl)-6-bromo-2-methoxyphenol?
3-(aminomethyl)-6-bromo-2-methoxyphenol has a molecular weight of 232.08 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-bromo-2-methoxyphenol is sourced from PubChem (CID 117335662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).