(Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine

C18H21NO2 — CID 67832078

IUPAC(Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine
SMILESCCOc1ccccc1O/C(=C\CNC)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-20-17-11-7-8-12-18(17)21-16(13-14-19-2)15-9-5-4-6-10-15/h4-13,19H,3,14H2,1-2H3/b16-13-
InChIKeyFCGQZLBENVETPE-SSZFMOIBSA-N
MW283.37 g/mol
LogP3.72
Rot. Bonds7

About (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine

(Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 67832078) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID67832078
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine
SMILESCCOc1ccccc1O/C(=C\CNC)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-20-17-11-7-8-12-18(17)21-16(13-14-19-2)15-9-5-4-6-10-15/h4-13,19H,3,14H2,1-2H3/b16-13-
InChIKeyFCGQZLBENVETPE-SSZFMOIBSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[(E)-3-ethoxy-1-phenylprop-1-enoxy]benzene
CID 101199839
1,2-bis(1-phenylprop-1-enoxy)benzene
CID 70405108
N-methyl-3-(4-methylsulfonylphenoxy)-3-phenylprop-2-en-1-amine
CID 54162034
1-methoxybut-1-enylbenzene
CID 69305429
(E)-3-(2-ethoxyphenyl)-2-phenylprop-2-enal
CID 94269992
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
4-(2-ethoxyphenoxy)-2-methylbut-2-enoic acid
CID 77076446
1-ethoxy-2-(1-phenylethenyl)benzene
CID 162347910
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
2-(2-ethoxyphenoxy)propane-1,3-diol
CID 3030872
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine (CID 67832078) is (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine is CCOc1ccccc1O/C(=C\CNC)c1ccccc1.
What is the InChIKey of (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is FCGQZLBENVETPE-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-20-17-11-7-8-12-18(17)21-16(13-14-19-2)15-9-5-4-6-10-15/h4-13,19H,3,14H2,1-2H3/b16-13-.
What are the key properties of (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine?
(Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethoxyphenoxy)-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 67832078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).