N-benzyloxetan-3-amine

C10H13NO — CID 45043243

IUPACN-benzyloxetan-3-amine
SMILESc1ccc(CNC2COC2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-11-10-7-12-8-10/h1-5,10-11H,6-8H2
InChIKeyDSGHRPVYBGSMIO-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.17
Rot. Bonds3

About N-benzyloxetan-3-amine

N-benzyloxetan-3-amine (PubChem CID 45043243) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-benzyloxetan-3-amine.

Molecular Properties

Compound NameN-benzyloxetan-3-amine
PubChem CID45043243
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-benzyloxetan-3-amine
SMILESc1ccc(CNC2COC2)cc1
InChIInChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-11-10-7-12-8-10/h1-5,10-11H,6-8H2
InChIKeyDSGHRPVYBGSMIO-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyloxetan-3-amine?
The IUPAC name of N-benzyloxetan-3-amine (CID 45043243) is N-benzyloxetan-3-amine.
What is the SMILES notation for N-benzyloxetan-3-amine?
The canonical SMILES for N-benzyloxetan-3-amine is c1ccc(CNC2COC2)cc1.
What is the InChIKey of N-benzyloxetan-3-amine?
The InChIKey is DSGHRPVYBGSMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-4-9(5-3-1)6-11-10-7-12-8-10/h1-5,10-11H,6-8H2.
What are the key properties of N-benzyloxetan-3-amine?
N-benzyloxetan-3-amine has a molecular weight of 163.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloxetan-3-amine is sourced from PubChem (CID 45043243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).