(3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol

C16H24N2O2 — CID 167940575

IUPAC(3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccccc1/C=C/CN(C)C[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C16H24N2O2/c1-18(12-14-10-15(19)11-17-14)9-5-7-13-6-3-4-8-16(13)20-2/h3-8,14-15,17,19H,9-12H2,1-2H3/b7-5+/t14-,15+/m0/s1
InChIKeyJOKZKYKWAPVMOM-SJKUQHEZSA-N
MW276.38 g/mol
LogP1.36
Rot. Bonds6

About (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol

(3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol (PubChem CID 167940575) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol
PubChem CID167940575
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccccc1/C=C/CN(C)C[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C16H24N2O2/c1-18(12-14-10-15(19)11-17-14)9-5-7-13-6-3-4-8-16(13)20-2/h3-8,14-15,17,19H,9-12H2,1-2H3/b7-5+/t14-,15+/m0/s1
InChIKeyJOKZKYKWAPVMOM-SJKUQHEZSA-N
XLogP1.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 66054578
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
5-[(4-methoxy-N-methylanilino)methyl]pyrrolidin-3-ol
CID 66056361
N-(1H-indol-7-ylmethyl)-3-(2-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 176731978
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
5-[(N,2-dimethylanilino)methyl]pyrrolidin-3-ol
CID 66056557
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(3R,5S)-5-[[methyl-[(2-phenyl-1H-imidazol-5-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 154759749
4-(2-methoxyphenyl)but-3-enamide
CID 170797506

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol (CID 167940575) is (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol is COc1ccccc1/C=C/CN(C)C[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is JOKZKYKWAPVMOM-SJKUQHEZSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(12-14-10-15(19)11-17-14)9-5-7-13-6-3-4-8-16(13)20-2/h3-8,14-15,17,19H,9-12H2,1-2H3/b7-5+/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol?
(3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 276.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 167940575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).