2-chloro-6-(methylaminomethyl)phenol;hydrochloride

C8H11Cl2NO — CID 135396200

IUPAC2-chloro-6-(methylaminomethyl)phenol;hydrochloride
SMILESCNCc1cccc(Cl)c1O.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-10-5-6-3-2-4-7(9)8(6)11;/h2-4,10-11H,5H2,1H3;1H
InChIKeyLLNFKHHBXVGOQY-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.19
Rot. Bonds2

About 2-chloro-6-(methylaminomethyl)phenol;hydrochloride

2-chloro-6-(methylaminomethyl)phenol;hydrochloride (PubChem CID 135396200) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 2-chloro-6-(methylaminomethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-(methylaminomethyl)phenol;hydrochloride
PubChem CID135396200
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name2-chloro-6-(methylaminomethyl)phenol;hydrochloride
SMILESCNCc1cccc(Cl)c1O.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-10-5-6-3-2-4-7(9)8(6)11;/h2-4,10-11H,5H2,1H3;1H
InChIKeyLLNFKHHBXVGOQY-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(methylaminomethyl)phenol;hydrochloride 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-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol
CID 112607031
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
2-chloro-6-[(2-hydroxyphenyl)methyl]phenol
CID 22151945
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
3-[(3-chloro-2-hydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103923775
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
CID 112568736
2-chloro-6-[(pent-3-ynylamino)methyl]phenol
CID 115978358
2-chloro-6-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115924196
2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112568714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylaminomethyl)phenol;hydrochloride?
The IUPAC name of 2-chloro-6-(methylaminomethyl)phenol;hydrochloride (CID 135396200) is 2-chloro-6-(methylaminomethyl)phenol;hydrochloride.
What is the SMILES notation for 2-chloro-6-(methylaminomethyl)phenol;hydrochloride?
The canonical SMILES for 2-chloro-6-(methylaminomethyl)phenol;hydrochloride is CNCc1cccc(Cl)c1O.Cl.
What is the InChIKey of 2-chloro-6-(methylaminomethyl)phenol;hydrochloride?
The InChIKey is LLNFKHHBXVGOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-10-5-6-3-2-4-7(9)8(6)11;/h2-4,10-11H,5H2,1H3;1H.
What are the key properties of 2-chloro-6-(methylaminomethyl)phenol;hydrochloride?
2-chloro-6-(methylaminomethyl)phenol;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylaminomethyl)phenol;hydrochloride is sourced from PubChem (CID 135396200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).