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

C20H23NO — CID 1313815

IUPACN-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccccc1-c1ccccc1
InChIInChI=1S/C20H23NO/c1-3-14-21(15-4-2)16-17-22-20-13-9-8-12-19(20)18-10-6-5-7-11-18/h3-13H,1-2,14-17H2
InChIKeyQMCMXATTWQUGLQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.41
Rot. Bonds9

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

N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 1313815) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID1313815
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccccc1-c1ccccc1
InChIInChI=1S/C20H23NO/c1-3-14-21(15-4-2)16-17-22-20-13-9-8-12-19(20)18-10-6-5-7-11-18/h3-13H,1-2,14-17H2
InChIKeyQMCMXATTWQUGLQ-UHFFFAOYSA-N
XLogP4.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enoxy-2-phenylbenzene
CID 154014031
N-[2-(2-phenoxyphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70501198
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
N-(2-chloroethyl)-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine;hydrochloride
CID 24843959
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
2-[2-(2-phenylphenoxy)ethoxy]ethyl prop-2-enoate
CID 23290048
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
2-(2-phenylphenoxy)-N-prop-2-enylacetamide
CID 7971284
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 1313815) is N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOc1ccccc1-c1ccccc1.
What is the InChIKey of N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is QMCMXATTWQUGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-14-21(15-4-2)16-17-22-20-13-9-8-12-19(20)18-10-6-5-7-11-18/h3-13H,1-2,14-17H2.
What are the key properties of N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 1313815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).