4-(aminomethyl)-2-methylbenzene-1,3-diol

C8H11NO2 — CID 82502588

IUPAC4-(aminomethyl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(CN)c1O
InChIInChI=1S/C8H11NO2/c1-5-7(10)3-2-6(4-9)8(5)11/h2-3,10-11H,4,9H2,1H3
InChIKeyWOMBGOVLDUHEJX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.86
Rot. Bonds1

About 4-(aminomethyl)-2-methylbenzene-1,3-diol

4-(aminomethyl)-2-methylbenzene-1,3-diol (PubChem CID 82502588) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylbenzene-1,3-diol
PubChem CID82502588
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(aminomethyl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(CN)c1O
InChIInChI=1S/C8H11NO2/c1-5-7(10)3-2-6(4-9)8(5)11/h2-3,10-11H,4,9H2,1H3
InChIKeyWOMBGOVLDUHEJX-UHFFFAOYSA-N
XLogP0.86
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-2-methylbenzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dihydroxy-3-methylphenyl)acetonitrile
CID 84764573
4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548
4-[(2-hydroxy-3,5,6-trimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 155168572
4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278779
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
5-(aminomethyl)-2-methyl-1H-indol-4-ol
CID 82599148
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
4-(2-aminooxyethyl)-2,3-dimethylphenol
CID 117278812

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylbenzene-1,3-diol?
The IUPAC name of 4-(aminomethyl)-2-methylbenzene-1,3-diol (CID 82502588) is 4-(aminomethyl)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(aminomethyl)-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-(aminomethyl)-2-methylbenzene-1,3-diol is Cc1c(O)ccc(CN)c1O.
What is the InChIKey of 4-(aminomethyl)-2-methylbenzene-1,3-diol?
The InChIKey is WOMBGOVLDUHEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-7(10)3-2-6(4-9)8(5)11/h2-3,10-11H,4,9H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methylbenzene-1,3-diol?
4-(aminomethyl)-2-methylbenzene-1,3-diol has a molecular weight of 153.18 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 82502588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).