N-(3-phenoxypropyl)oxolan-3-amine

C13H19NO2 — CID 63335382

IUPACN-(3-phenoxypropyl)oxolan-3-amine
SMILESc1ccc(OCCCNC2CCOC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-5-13(6-3-1)16-9-4-8-14-12-7-10-15-11-12/h1-3,5-6,12,14H,4,7-11H2
InChIKeyKOUKOTHKWKOFET-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds6

About N-(3-phenoxypropyl)oxolan-3-amine

N-(3-phenoxypropyl)oxolan-3-amine (PubChem CID 63335382) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(3-phenoxypropyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-phenoxypropyl)oxolan-3-amine
PubChem CID63335382
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(3-phenoxypropyl)oxolan-3-amine
SMILESc1ccc(OCCCNC2CCOC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-5-13(6-3-1)16-9-4-8-14-12-7-10-15-11-12/h1-3,5-6,12,14H,4,7-11H2
InChIKeyKOUKOTHKWKOFET-UHFFFAOYSA-N
XLogP1.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)oxolan-3-amine?
The IUPAC name of N-(3-phenoxypropyl)oxolan-3-amine (CID 63335382) is N-(3-phenoxypropyl)oxolan-3-amine.
What is the SMILES notation for N-(3-phenoxypropyl)oxolan-3-amine?
The canonical SMILES for N-(3-phenoxypropyl)oxolan-3-amine is c1ccc(OCCCNC2CCOC2)cc1.
What is the InChIKey of N-(3-phenoxypropyl)oxolan-3-amine?
The InChIKey is KOUKOTHKWKOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-5-13(6-3-1)16-9-4-8-14-12-7-10-15-11-12/h1-3,5-6,12,14H,4,7-11H2.
What are the key properties of N-(3-phenoxypropyl)oxolan-3-amine?
N-(3-phenoxypropyl)oxolan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)oxolan-3-amine is sourced from PubChem (CID 63335382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).