N-(2-chlorophenyl)oxetan-2-amine

C9H10ClNO — CID 90006201

IUPACN-(2-chlorophenyl)oxetan-2-amine
SMILESClc1ccccc1NC1CCO1
InChIInChI=1S/C9H10ClNO/c10-7-3-1-2-4-8(7)11-9-5-6-12-9/h1-4,9,11H,5-6H2
InChIKeyZFWHYXMLDYQQLK-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.50
Rot. Bonds2

About N-(2-chlorophenyl)oxetan-2-amine

N-(2-chlorophenyl)oxetan-2-amine (PubChem CID 90006201) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-(2-chlorophenyl)oxetan-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)oxetan-2-amine
PubChem CID90006201
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-(2-chlorophenyl)oxetan-2-amine
SMILESClc1ccccc1NC1CCO1
InChIInChI=1S/C9H10ClNO/c10-7-3-1-2-4-8(7)11-9-5-6-12-9/h1-4,9,11H,5-6H2
InChIKeyZFWHYXMLDYQQLK-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)oxetan-2-amine?
The IUPAC name of N-(2-chlorophenyl)oxetan-2-amine (CID 90006201) is N-(2-chlorophenyl)oxetan-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)oxetan-2-amine?
The canonical SMILES for N-(2-chlorophenyl)oxetan-2-amine is Clc1ccccc1NC1CCO1.
What is the InChIKey of N-(2-chlorophenyl)oxetan-2-amine?
The InChIKey is ZFWHYXMLDYQQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-7-3-1-2-4-8(7)11-9-5-6-12-9/h1-4,9,11H,5-6H2.
What are the key properties of N-(2-chlorophenyl)oxetan-2-amine?
N-(2-chlorophenyl)oxetan-2-amine has a molecular weight of 183.64 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)oxetan-2-amine is sourced from PubChem (CID 90006201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).