N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine

C17H23NO — CID 70684171

IUPACN-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOC/C=C/c1ccccc1
InChIInChI=1S/C17H23NO/c1-3-12-18(13-4-2)14-16-19-15-8-11-17-9-6-5-7-10-17/h3-11H,1-2,12-16H2/b11-8+
InChIKeyBBUVPKFZOURHAN-DHZHZOJOSA-N
MW257.38 g/mol
LogP3.39
Rot. Bonds10

About N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 70684171) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID70684171
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOC/C=C/c1ccccc1
InChIInChI=1S/C17H23NO/c1-3-12-18(13-4-2)14-16-19-15-8-11-17-9-6-5-7-10-17/h3-11H,1-2,12-16H2/b11-8+
InChIKeyBBUVPKFZOURHAN-DHZHZOJOSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine
CID 70407651
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
1,3,5-tribromo-2-[[(E)-3-phenylprop-2-enoxy]methyl]-4,6-bis(prop-2-enoxymethyl)benzene
CID 10919097
(E)-N-chloro-3-phenyl-N-prop-2-enylprop-2-en-1-amine
CID 121011527
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 70684171) is N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOC/C=C/c1ccccc1.
What is the InChIKey of N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is BBUVPKFZOURHAN-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-12-18(13-4-2)14-16-19-15-8-11-17-9-6-5-7-10-17/h3-11H,1-2,12-16H2/b11-8+.
What are the key properties of N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 70684171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).