2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol

C9H12FNO2 — CID 84769618

IUPAC2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol
SMILESCNCc1cc(C)c(O)c(F)c1O
InChIInChI=1S/C9H12FNO2/c1-5-3-6(4-11-2)9(13)7(10)8(5)12/h3,11-13H,4H2,1-2H3
InChIKeyVRTNJBSQTQNJKI-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.26
Rot. Bonds2

About 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol

2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol (PubChem CID 84769618) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol
PubChem CID84769618
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol
SMILESCNCc1cc(C)c(O)c(F)c1O
InChIInChI=1S/C9H12FNO2/c1-5-3-6(4-11-2)9(13)7(10)8(5)12/h3,11-13H,4H2,1-2H3
InChIKeyVRTNJBSQTQNJKI-UHFFFAOYSA-N
XLogP1.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-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-fluoro-3,6-dimethyl-5-(methylaminomethyl)phenol
CID 84769029
ethane;2-fluoro-6-methyl-4-(methylaminomethyl)-3-[(E)-prop-1-enyl]phenol
CID 143989612
4-chloro-2-methyl-6-(methylaminomethyl)phenol
CID 115978288
4-methoxy-2-methyl-6-(methylaminomethyl)phenol
CID 84657983
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
CID 84807288
2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol
CID 84777069
2,3,4-trifluoro-6-methylphenol
CID 54304883
4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
CID 105482966
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol?
The IUPAC name of 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol (CID 84769618) is 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol.
What is the SMILES notation for 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol?
The canonical SMILES for 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol is CNCc1cc(C)c(O)c(F)c1O.
What is the InChIKey of 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol?
The InChIKey is VRTNJBSQTQNJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5-3-6(4-11-2)9(13)7(10)8(5)12/h3,11-13H,4H2,1-2H3.
What are the key properties of 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol?
2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol has a molecular weight of 185.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol is sourced from PubChem (CID 84769618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).