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

C8H10BrNO — CID 84784548

IUPAC4-(aminomethyl)-2-bromo-3-methylphenol
SMILESCc1c(CN)ccc(O)c1Br
InChIInChI=1S/C8H10BrNO/c1-5-6(4-10)2-3-7(11)8(5)9/h2-3,11H,4,10H2,1H3
InChIKeyJUHZKWKPVUGRDM-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.92
Rot. Bonds1

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

4-(aminomethyl)-2-bromo-3-methylphenol (PubChem CID 84784548) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-3-methylphenol
PubChem CID84784548
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name4-(aminomethyl)-2-bromo-3-methylphenol
SMILESCc1c(CN)ccc(O)c1Br
InChIInChI=1S/C8H10BrNO/c1-5-6(4-10)2-3-7(11)8(5)9/h2-3,11H,4,10H2,1H3
InChIKeyJUHZKWKPVUGRDM-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

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Related Compounds

2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid
CID 84802752
2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol
CID 84795166
4-(aminomethyl)-2-methylbenzene-1,3-diol
CID 82502588
4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802471
2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
5-(aminomethyl)-2-bromo-3,6-dimethylphenol
CID 84793496
2-bromo-4-methoxy-3-methylphenol
CID 54571766
4-(1-aminocyclopropyl)-2-bromo-3-methylphenol
CID 84801509
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
CID 84806446
(6-bromo-1-methylnaphthalen-2-yl)methanamine
CID 115057582
2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
CID 178200410

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-3-methylphenol?
The IUPAC name of 4-(aminomethyl)-2-bromo-3-methylphenol (CID 84784548) is 4-(aminomethyl)-2-bromo-3-methylphenol.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-3-methylphenol?
The canonical SMILES for 4-(aminomethyl)-2-bromo-3-methylphenol is Cc1c(CN)ccc(O)c1Br.
What is the InChIKey of 4-(aminomethyl)-2-bromo-3-methylphenol?
The InChIKey is JUHZKWKPVUGRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-6(4-10)2-3-7(11)8(5)9/h2-3,11H,4,10H2,1H3.
What are the key properties of 4-(aminomethyl)-2-bromo-3-methylphenol?
4-(aminomethyl)-2-bromo-3-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 4-(aminomethyl)-2-bromo-3-methylphenol is sourced from PubChem (CID 84784548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).