N-phenyloxetan-3-amine

C9H11NO — CID 63624742

IUPACN-phenyloxetan-3-amine
SMILESc1ccc(NC2COC2)cc1
InChIInChI=1S/C9H11NO/c1-2-4-8(5-3-1)10-9-6-11-7-9/h1-5,9-10H,6-7H2
InChIKeyUZBJFLYGMMUGTI-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.50
Rot. Bonds2

About N-phenyloxetan-3-amine

N-phenyloxetan-3-amine (PubChem CID 63624742) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-phenyloxetan-3-amine.

Molecular Properties

Compound NameN-phenyloxetan-3-amine
PubChem CID63624742
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-phenyloxetan-3-amine
SMILESc1ccc(NC2COC2)cc1
InChIInChI=1S/C9H11NO/c1-2-4-8(5-3-1)10-9-6-11-7-9/h1-5,9-10H,6-7H2
InChIKeyUZBJFLYGMMUGTI-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyloxetan-3-amine?
The IUPAC name of N-phenyloxetan-3-amine (CID 63624742) is N-phenyloxetan-3-amine.
What is the SMILES notation for N-phenyloxetan-3-amine?
The canonical SMILES for N-phenyloxetan-3-amine is c1ccc(NC2COC2)cc1.
What is the InChIKey of N-phenyloxetan-3-amine?
The InChIKey is UZBJFLYGMMUGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-8(5-3-1)10-9-6-11-7-9/h1-5,9-10H,6-7H2.
What are the key properties of N-phenyloxetan-3-amine?
N-phenyloxetan-3-amine has a molecular weight of 149.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyloxetan-3-amine is sourced from PubChem (CID 63624742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).