4-chloro-2-methyl-6-(methylaminomethyl)phenol

C9H12ClNO — CID 115978288

IUPAC4-chloro-2-methyl-6-(methylaminomethyl)phenol
SMILESCNCc1cc(Cl)cc(C)c1O
InChIInChI=1S/C9H12ClNO/c1-6-3-8(10)4-7(5-11-2)9(6)12/h3-4,11-12H,5H2,1-2H3
InChIKeyBQDRUJSFXLERFF-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.07
Rot. Bonds2

About 4-chloro-2-methyl-6-(methylaminomethyl)phenol

4-chloro-2-methyl-6-(methylaminomethyl)phenol (PubChem CID 115978288) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(methylaminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(methylaminomethyl)phenol
PubChem CID115978288
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name4-chloro-2-methyl-6-(methylaminomethyl)phenol
SMILESCNCc1cc(Cl)cc(C)c1O
InChIInChI=1S/C9H12ClNO/c1-6-3-8(10)4-7(5-11-2)9(6)12/h3-4,11-12H,5H2,1-2H3
InChIKeyBQDRUJSFXLERFF-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-6-(propylaminomethyl)phenol
CID 115904498
2-(aminomethyl)-4-chloro-6-methylphenol
CID 12652125
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
4-methoxy-2-methyl-6-(methylaminomethyl)phenol
CID 84657983
2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol
CID 84769618
3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol
CID 142768144
1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine
CID 18721638
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
tert-butyl N-[(2S)-1-[(5-chloro-2-hydroxy-3-methylphenyl)methylamino]-1-oxopropan-2-yl]carbamate
CID 151717909
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958
CID 89379549
CID 89379549
2,4-dichloro-6-[2-(methylamino)ethyl]phenol
CID 83889183

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(methylaminomethyl)phenol?
The IUPAC name of 4-chloro-2-methyl-6-(methylaminomethyl)phenol (CID 115978288) is 4-chloro-2-methyl-6-(methylaminomethyl)phenol.
What is the SMILES notation for 4-chloro-2-methyl-6-(methylaminomethyl)phenol?
The canonical SMILES for 4-chloro-2-methyl-6-(methylaminomethyl)phenol is CNCc1cc(Cl)cc(C)c1O.
What is the InChIKey of 4-chloro-2-methyl-6-(methylaminomethyl)phenol?
The InChIKey is BQDRUJSFXLERFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-3-8(10)4-7(5-11-2)9(6)12/h3-4,11-12H,5H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(methylaminomethyl)phenol?
4-chloro-2-methyl-6-(methylaminomethyl)phenol has a molecular weight of 185.65 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(methylaminomethyl)phenol is sourced from PubChem (CID 115978288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).