1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine

C11H16ClNO — CID 82126890

IUPAC1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-11(2,13-3)8-14-10-7-5-4-6-9(10)12/h4-7,13H,8H2,1-3H3
InChIKeyKLHOYXRVKZGAQA-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine

1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine (PubChem CID 82126890) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine
PubChem CID82126890
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1ccccc1Cl
InChIInChI=1S/C11H16ClNO/c1-11(2,13-3)8-14-10-7-5-4-6-9(10)12/h4-7,13H,8H2,1-3H3
InChIKeyKLHOYXRVKZGAQA-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenoxy)-N,2-dimethylpropan-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-chlorophenoxy)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine (CID 82126890) is 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine is CNC(C)(C)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine?
The InChIKey is KLHOYXRVKZGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-11(2,13-3)8-14-10-7-5-4-6-9(10)12/h4-7,13H,8H2,1-3H3.
What are the key properties of 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine?
1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 82126890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).