N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine

C20H23NO2 — CID 70501198

IUPACN-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-14-21(15-4-2)16-17-22-19-12-8-9-13-20(19)23-18-10-6-5-7-11-18/h3-13H,1-2,14-17H2
InChIKeyXMBXSHVIYVMXPY-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.53
Rot. Bonds10

About N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 70501198) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID70501198
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-14-21(15-4-2)16-17-22-19-12-8-9-13-20(19)23-18-10-6-5-7-11-18/h3-13H,1-2,14-17H2
InChIKeyXMBXSHVIYVMXPY-UHFFFAOYSA-N
XLogP4.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 1313815
N-[2-(2-phenoxyphenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 155988340
2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
CID 113237465
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
2-(2-phenoxyphenoxy)ethanamine
CID 18769450
(E)-3-[2-[2-[hexyl(prop-2-enyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 39102730
N-methyl-4-phenoxy-N-prop-2-enylbutan-1-amine
CID 141046921
4-(3-methylphenoxy)-N,N-bis(prop-2-enyl)butan-1-amine
CID 2267298
N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70684171
N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine
CID 155988342
2-[2-(4-fluorophenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79277557
1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
CID 71386650

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 70501198) is N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOc1ccccc1Oc1ccccc1.
What is the InChIKey of N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is XMBXSHVIYVMXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-14-21(15-4-2)16-17-22-19-12-8-9-13-20(19)23-18-10-6-5-7-11-18/h3-13H,1-2,14-17H2.
What are the key properties of N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 309.41 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 70501198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).