N,N-dimethyl-2-phenoxyoxan-3-amine

C13H19NO2 — CID 3049304

IUPACN,N-dimethyl-2-phenoxyoxan-3-amine
SMILESCN(C)C1CCCOC1Oc1ccccc1
InChIInChI=1S/C13H19NO2/c1-14(2)12-9-6-10-15-13(12)16-11-7-4-3-5-8-11/h3-5,7-8,12-13H,6,9-10H2,1-2H3
InChIKeyWDFVHNZXUYLPTG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds3

About N,N-dimethyl-2-phenoxyoxan-3-amine

N,N-dimethyl-2-phenoxyoxan-3-amine (PubChem CID 3049304) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-dimethyl-2-phenoxyoxan-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-phenoxyoxan-3-amine
PubChem CID3049304
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN,N-dimethyl-2-phenoxyoxan-3-amine
SMILESCN(C)C1CCCOC1Oc1ccccc1
InChIInChI=1S/C13H19NO2/c1-14(2)12-9-6-10-15-13(12)16-11-7-4-3-5-8-11/h3-5,7-8,12-13H,6,9-10H2,1-2H3
InChIKeyWDFVHNZXUYLPTG-UHFFFAOYSA-N
XLogP2.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenoxyoxan-3-amine?
The IUPAC name of N,N-dimethyl-2-phenoxyoxan-3-amine (CID 3049304) is N,N-dimethyl-2-phenoxyoxan-3-amine.
What is the SMILES notation for N,N-dimethyl-2-phenoxyoxan-3-amine?
The canonical SMILES for N,N-dimethyl-2-phenoxyoxan-3-amine is CN(C)C1CCCOC1Oc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenoxyoxan-3-amine?
The InChIKey is WDFVHNZXUYLPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(2)12-9-6-10-15-13(12)16-11-7-4-3-5-8-11/h3-5,7-8,12-13H,6,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-phenoxyoxan-3-amine?
N,N-dimethyl-2-phenoxyoxan-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenoxyoxan-3-amine is sourced from PubChem (CID 3049304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).