2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline

C16H23Cl2NO — CID 65469345

IUPAC2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
SMILESCC(C)COC1CC(Nc2c(Cl)cccc2Cl)C1(C)C
InChIInChI=1S/C16H23Cl2NO/c1-10(2)9-20-14-8-13(16(14,3)4)19-15-11(17)6-5-7-12(15)18/h5-7,10,13-14,19H,8-9H2,1-4H3
InChIKeyVZTQDNPAWMOUMK-UHFFFAOYSA-N
MW316.27 g/mol
LogP5.24
Rot. Bonds5

About 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline

2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline (PubChem CID 65469345) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
PubChem CID65469345
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
SMILESCC(C)COC1CC(Nc2c(Cl)cccc2Cl)C1(C)C
InChIInChI=1S/C16H23Cl2NO/c1-10(2)9-20-14-8-13(16(14,3)4)19-15-11(17)6-5-7-12(15)18/h5-7,10,13-14,19H,8-9H2,1-4H3
InChIKeyVZTQDNPAWMOUMK-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.27
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline 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 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline?
The IUPAC name of 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline (CID 65469345) is 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline is CC(C)COC1CC(Nc2c(Cl)cccc2Cl)C1(C)C.
What is the InChIKey of 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline?
The InChIKey is VZTQDNPAWMOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-10(2)9-20-14-8-13(16(14,3)4)19-15-11(17)6-5-7-12(15)18/h5-7,10,13-14,19H,8-9H2,1-4H3.
What are the key properties of 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline?
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline has a molecular weight of 316.27 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline is sourced from PubChem (CID 65469345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).