[(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine

C20H24N2 — CID 120769292

IUPAC[(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2/c21-14-19-15-22(13-7-10-17-8-3-1-4-9-17)16-20(19)18-11-5-2-6-12-18/h1-12,19-20H,13-16,21H2/b10-7+/t19-,20+/m1/s1
InChIKeySGLMSHFZHJHENR-YECZOLDGSA-N
MW292.43 g/mol
LogP3.37
Rot. Bonds5

About [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine

[(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine (PubChem CID 120769292) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine
PubChem CID120769292
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name[(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2/c21-14-19-15-22(13-7-10-17-8-3-1-4-9-17)16-20(19)18-11-5-2-6-12-18/h1-12,19-20H,13-16,21H2/b10-7+/t19-,20+/m1/s1
InChIKeySGLMSHFZHJHENR-YECZOLDGSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone
CID 120759847
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 120760183
1-(4-acetylpiperazin-1-yl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone
CID 120759232
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
CID 166260157
[(3R,4R)-4-phenyl-1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120769564
[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120759943
[(3R,4R)-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120758679
[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769822
[(3R,4R)-1-[[4-(difluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846619

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine (CID 120769292) is [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine is NC[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine?
The InChIKey is SGLMSHFZHJHENR-YECZOLDGSA-N. The full InChI is InChI=1S/C20H24N2/c21-14-19-15-22(13-7-10-17-8-3-1-4-9-17)16-20(19)18-11-5-2-6-12-18/h1-12,19-20H,13-16,21H2/b10-7+/t19-,20+/m1/s1.
What are the key properties of [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine?
[(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120769292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).