N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine

C20H25NO — CID 70407651

IUPACN-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine
SMILESCCN(CCOCC=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-2-21(18-20-12-7-4-8-13-20)15-17-22-16-9-14-19-10-5-3-6-11-19/h3-14H,2,15-18H2,1H3
InChIKeyFZWLMRCYGIRJHR-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.24
Rot. Bonds9

About N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine

N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine (PubChem CID 70407651) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine
PubChem CID70407651
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine
SMILESCCN(CCOCC=Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-2-21(18-20-12-7-4-8-13-20)15-17-22-16-9-14-19-10-5-3-6-11-19/h3-14H,2,15-18H2,1H3
InChIKeyFZWLMRCYGIRJHR-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70684171
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 134112447
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
2-[benzyl(ethyl)amino]ethyl methanesulfonate
CID 87874420
[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene
CID 56957260

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine?
The IUPAC name of N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine (CID 70407651) is N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine?
The canonical SMILES for N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine is CCN(CCOCC=Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine?
The InChIKey is FZWLMRCYGIRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-21(18-20-12-7-4-8-13-20)15-17-22-16-9-14-19-10-5-3-6-11-19/h3-14H,2,15-18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine?
N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine has a molecular weight of 295.43 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine is sourced from PubChem (CID 70407651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).