5-phenoxy-2-prop-2-enoxyaniline

C15H15NO2 — CID 10847689

IUPAC5-phenoxy-2-prop-2-enoxyaniline
SMILESC=CCOc1ccc(Oc2ccccc2)cc1N
InChIInChI=1S/C15H15NO2/c1-2-10-17-15-9-8-13(11-14(15)16)18-12-6-4-3-5-7-12/h2-9,11H,1,10,16H2
InChIKeyBCGRGPRVNJZNRS-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.63
Rot. Bonds5

About 5-phenoxy-2-prop-2-enoxyaniline

5-phenoxy-2-prop-2-enoxyaniline (PubChem CID 10847689) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-phenoxy-2-prop-2-enoxyaniline.

Molecular Properties

Compound Name5-phenoxy-2-prop-2-enoxyaniline
PubChem CID10847689
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name5-phenoxy-2-prop-2-enoxyaniline
SMILESC=CCOc1ccc(Oc2ccccc2)cc1N
InChIInChI=1S/C15H15NO2/c1-2-10-17-15-9-8-13(11-14(15)16)18-12-6-4-3-5-7-12/h2-9,11H,1,10,16H2
InChIKeyBCGRGPRVNJZNRS-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-phenoxy-2-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
CID 10519814
5-propan-2-yl-2-prop-2-enoxyaniline
CID 54852954
CID 174846151
CID 174846151
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
4-phenoxyaniline
CID 158390066
2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 71407181
1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene
CID 134504728
3-(3-amino-4-prop-2-enoxyphenyl)-N-ethyl-N-phenylpropanamide
CID 82153394
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
CID 82064223
2-chloro-4-phenylmethoxy-1-prop-2-enoxybenzene
CID 50888850
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
1-[5-[3-(2,5-dioxopyrrol-1-yl)-4-prop-2-enoxyphenoxy]-2-prop-2-enoxyphenyl]pyrrole-2,5-dione
CID 145412178

Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-2-prop-2-enoxyaniline?
The IUPAC name of 5-phenoxy-2-prop-2-enoxyaniline (CID 10847689) is 5-phenoxy-2-prop-2-enoxyaniline.
What is the SMILES notation for 5-phenoxy-2-prop-2-enoxyaniline?
The canonical SMILES for 5-phenoxy-2-prop-2-enoxyaniline is C=CCOc1ccc(Oc2ccccc2)cc1N.
What is the InChIKey of 5-phenoxy-2-prop-2-enoxyaniline?
The InChIKey is BCGRGPRVNJZNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-10-17-15-9-8-13(11-14(15)16)18-12-6-4-3-5-7-12/h2-9,11H,1,10,16H2.
What are the key properties of 5-phenoxy-2-prop-2-enoxyaniline?
5-phenoxy-2-prop-2-enoxyaniline has a molecular weight of 241.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxy-2-prop-2-enoxyaniline is sourced from PubChem (CID 10847689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).