1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine

C11H15ClFN — CID 117307503

IUPAC1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
SMILESCc1ccc(F)c(Cl)c1CC(C)(C)N
InChIInChI=1S/C11H15ClFN/c1-7-4-5-9(13)10(12)8(7)6-11(2,3)14/h4-5H,6,14H2,1-3H3
InChIKeyXYAMIWSDOZGHMJ-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine

1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine (PubChem CID 117307503) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
PubChem CID117307503
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
SMILESCc1ccc(F)c(Cl)c1CC(C)(C)N
InChIInChI=1S/C11H15ClFN/c1-7-4-5-9(13)10(12)8(7)6-11(2,3)14/h4-5H,6,14H2,1-3H3
InChIKeyXYAMIWSDOZGHMJ-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine 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 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine (CID 117307503) is 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine is Cc1ccc(F)c(Cl)c1CC(C)(C)N.
What is the InChIKey of 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine?
The InChIKey is XYAMIWSDOZGHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-7-4-5-9(13)10(12)8(7)6-11(2,3)14/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine?
1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117307503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).