(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine

C22H28N2O — CID 119108419

IUPAC(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1ccccc1N1CCC(CNC/C(C)=C/c2ccccc2)C1
InChIInChI=1S/C22H28N2O/c1-18(14-19-8-4-3-5-9-19)15-23-16-20-12-13-24(17-20)21-10-6-7-11-22(21)25-2/h3-11,14,20,23H,12-13,15-17H2,1-2H3/b18-14+
InChIKeyVKRFEDUKOLUWMP-NBVRZTHBSA-N
MW336.48 g/mol
LogP4.21
Rot. Bonds7

About (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine

(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 119108419) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
PubChem CID119108419
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine
SMILESCOc1ccccc1N1CCC(CNC/C(C)=C/c2ccccc2)C1
InChIInChI=1S/C22H28N2O/c1-18(14-19-8-4-3-5-9-19)15-23-16-20-12-13-24(17-20)21-10-6-7-11-22(21)25-2/h3-11,14,20,23H,12-13,15-17H2,1-2H3/b18-14+
InChIKeyVKRFEDUKOLUWMP-NBVRZTHBSA-N
XLogP4.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83981953
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
1-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111948607
3-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953556
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119870926
2,5-dimethoxy-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 47091619
7-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]heptanamide
CID 119870913
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 95141065
3-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119870931

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine (CID 119108419) is (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine is COc1ccccc1N1CCC(CNC/C(C)=C/c2ccccc2)C1.
What is the InChIKey of (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is VKRFEDUKOLUWMP-NBVRZTHBSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18(14-19-8-4-3-5-9-19)15-23-16-20-12-13-24(17-20)21-10-6-7-11-22(21)25-2/h3-11,14,20,23H,12-13,15-17H2,1-2H3/b18-14+.
What are the key properties of (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine?
(E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 336.48 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 119108419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).