2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol

C11H13Cl2NO — CID 115635121

IUPAC2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol
SMILESCC1(NCc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C11H13Cl2NO/c1-11(2-3-11)14-6-7-4-8(12)5-9(13)10(7)15/h4-5,14-15H,2-3,6H2,1H3
InChIKeyASPQZHRMZOHUGT-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.34
Rot. Bonds3

About 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol

2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol (PubChem CID 115635121) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol
PubChem CID115635121
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol
SMILESCC1(NCc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C11H13Cl2NO/c1-11(2-3-11)14-6-7-4-8(12)5-9(13)10(7)15/h4-5,14-15H,2-3,6H2,1H3
InChIKeyASPQZHRMZOHUGT-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol (CID 115635121) is 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol is CC1(NCc2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The InChIKey is ASPQZHRMZOHUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-11(2-3-11)14-6-7-4-8(12)5-9(13)10(7)15/h4-5,14-15H,2-3,6H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol has a molecular weight of 246.14 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol is sourced from PubChem (CID 115635121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).