N-(2,6-dichlorophenyl)-2-propyloxan-4-amine

C14H19Cl2NO — CID 65468926

IUPACN-(2,6-dichlorophenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(Nc2c(Cl)cccc2Cl)CCO1
InChIInChI=1S/C14H19Cl2NO/c1-2-4-11-9-10(7-8-18-11)17-14-12(15)5-3-6-13(14)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3
InChIKeyATCJQPWIGMQUHO-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.75
Rot. Bonds4

About N-(2,6-dichlorophenyl)-2-propyloxan-4-amine

N-(2,6-dichlorophenyl)-2-propyloxan-4-amine (PubChem CID 65468926) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-propyloxan-4-amine
PubChem CID65468926
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-(2,6-dichlorophenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(Nc2c(Cl)cccc2Cl)CCO1
InChIInChI=1S/C14H19Cl2NO/c1-2-4-11-9-10(7-8-18-11)17-14-12(15)5-3-6-13(14)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3
InChIKeyATCJQPWIGMQUHO-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dichlorophenyl)-2-propyloxan-4-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 N-(2,6-dichlorophenyl)-2-propyloxan-4-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-2-propyloxan-4-amine (CID 65468926) is N-(2,6-dichlorophenyl)-2-propyloxan-4-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-propyloxan-4-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-propyloxan-4-amine is CCCC1CC(Nc2c(Cl)cccc2Cl)CCO1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-propyloxan-4-amine?
The InChIKey is ATCJQPWIGMQUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-2-4-11-9-10(7-8-18-11)17-14-12(15)5-3-6-13(14)16/h3,5-6,10-11,17H,2,4,7-9H2,1H3.
What are the key properties of N-(2,6-dichlorophenyl)-2-propyloxan-4-amine?
N-(2,6-dichlorophenyl)-2-propyloxan-4-amine has a molecular weight of 288.22 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-propyloxan-4-amine is sourced from PubChem (CID 65468926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).