N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine

C15H20ClNO — CID 82726554

IUPACN-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO/c1-10-15(5-6-18-10)17-14-8-12(9-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14-15,17H,5-6,8-9H2,1H3
InChIKeyDRIFJUZEOBXOKY-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.35
Rot. Bonds3

About N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine

N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine (PubChem CID 82726554) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine
PubChem CID82726554
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO/c1-10-15(5-6-18-10)17-14-8-12(9-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14-15,17H,5-6,8-9H2,1H3
InChIKeyDRIFJUZEOBXOKY-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-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-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine (CID 82726554) is N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine is CC1OCCC1NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine?
The InChIKey is DRIFJUZEOBXOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10-15(5-6-18-10)17-14-8-12(9-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14-15,17H,5-6,8-9H2,1H3.
What are the key properties of N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine?
N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine has a molecular weight of 265.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)cyclobutyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 82726554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).