N-(3-prop-2-enoxyphenyl)oxolan-3-amine

C13H17NO2 — CID 115688918

IUPACN-(3-prop-2-enoxyphenyl)oxolan-3-amine
SMILESC=CCOc1cccc(NC2CCOC2)c1
InChIInChI=1S/C13H17NO2/c1-2-7-16-13-5-3-4-11(9-13)14-12-6-8-15-10-12/h2-5,9,12,14H,1,6-8,10H2
InChIKeyVOBUNGCGEMPMOH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.45
Rot. Bonds5

About N-(3-prop-2-enoxyphenyl)oxolan-3-amine

N-(3-prop-2-enoxyphenyl)oxolan-3-amine (PubChem CID 115688918) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(3-prop-2-enoxyphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-prop-2-enoxyphenyl)oxolan-3-amine
PubChem CID115688918
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(3-prop-2-enoxyphenyl)oxolan-3-amine
SMILESC=CCOc1cccc(NC2CCOC2)c1
InChIInChI=1S/C13H17NO2/c1-2-7-16-13-5-3-4-11(9-13)14-12-6-8-15-10-12/h2-5,9,12,14H,1,6-8,10H2
InChIKeyVOBUNGCGEMPMOH-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenoxyphenyl)oxolan-3-amine
CID 63335044
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
CID 98509677
N-[3-(chloromethyl)phenyl]oxolan-3-amine
CID 65023855
2-[3-(oxepan-4-ylamino)phenoxy]acetonitrile
CID 65081691
1-cyclopropyl-3-(3-prop-2-enoxyphenyl)thiourea
CID 47511985
3-(oxolan-3-ylamino)benzenesulfonamide
CID 63331778
N-[3-(methylsulfinylmethyl)phenyl]oxolan-3-amine
CID 115744260
N-(3-phenoxyphenyl)oxetan-3-amine
CID 63622920
N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-prop-2-enoxyphenyl)thiourea
CID 47511963
N-(3-ethoxy-4-methylphenyl)oxolan-3-amine
CID 115744217
4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 56826993

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-enoxyphenyl)oxolan-3-amine?
The IUPAC name of N-(3-prop-2-enoxyphenyl)oxolan-3-amine (CID 115688918) is N-(3-prop-2-enoxyphenyl)oxolan-3-amine.
What is the SMILES notation for N-(3-prop-2-enoxyphenyl)oxolan-3-amine?
The canonical SMILES for N-(3-prop-2-enoxyphenyl)oxolan-3-amine is C=CCOc1cccc(NC2CCOC2)c1.
What is the InChIKey of N-(3-prop-2-enoxyphenyl)oxolan-3-amine?
The InChIKey is VOBUNGCGEMPMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-7-16-13-5-3-4-11(9-13)14-12-6-8-15-10-12/h2-5,9,12,14H,1,6-8,10H2.
What are the key properties of N-(3-prop-2-enoxyphenyl)oxolan-3-amine?
N-(3-prop-2-enoxyphenyl)oxolan-3-amine has a molecular weight of 219.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enoxyphenyl)oxolan-3-amine is sourced from PubChem (CID 115688918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).