4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol

C8H10ClNO2 — CID 84770587

IUPAC4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol
SMILESCc1cc(CN)c(O)c(Cl)c1O
InChIInChI=1S/C8H10ClNO2/c1-4-2-5(3-10)8(12)6(9)7(4)11/h2,11-12H,3,10H2,1H3
InChIKeyYPFVZELWZSVIJJ-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.52
Rot. Bonds1

About 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol

4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol (PubChem CID 84770587) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol
PubChem CID84770587
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol
SMILESCc1cc(CN)c(O)c(Cl)c1O
InChIInChI=1S/C8H10ClNO2/c1-4-2-5(3-10)8(12)6(9)7(4)11/h2,11-12H,3,10H2,1H3
InChIKeyYPFVZELWZSVIJJ-UHFFFAOYSA-N
XLogP1.52
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-chloro-6-methylphenol
CID 12652125
7-(aminomethyl)-5-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84681333
(4-chloro-2,5-dimethylphenyl)methanamine
CID 22980871
5-(aminomethyl)-2-bromo-3,6-dimethylphenol
CID 84793496
2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
CID 82265863
2-amino-6-(aminomethyl)-4-methylphenol
CID 82417085
3-(3-chloro-4-hydroxy-2,5-dimethylphenyl)propanenitrile
CID 84781034
2-(3-chloro-4-hydroxy-2-methoxy-5-methylphenyl)acetic acid
CID 84794027
2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
CID 45259762
2-(aminomethyl)-6-chloro-4-propan-2-ylphenol
CID 12652136
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985
2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol
CID 84770210

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol?
The IUPAC name of 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol (CID 84770587) is 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol is Cc1cc(CN)c(O)c(Cl)c1O.
What is the InChIKey of 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol?
The InChIKey is YPFVZELWZSVIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-4-2-5(3-10)8(12)6(9)7(4)11/h2,11-12H,3,10H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol?
4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol has a molecular weight of 187.63 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol is sourced from PubChem (CID 84770587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).