(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol

C18H21NO2 — CID 129372424

IUPAC(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1ccccc1[C@@]1(O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H21NO2/c1-21-17-10-6-5-9-16(17)18(20)11-12-19(14-18)13-15-7-3-2-4-8-15/h2-10,20H,11-14H2,1H3/t18-/m1/s1
InChIKeyPZOZADPMRUXIJH-GOSISDBHSA-N
MW283.37 g/mol
LogP2.79
Rot. Bonds4

About (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol

(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 129372424) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
PubChem CID129372424
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1ccccc1[C@@]1(O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H21NO2/c1-21-17-10-6-5-9-16(17)18(20)11-12-19(14-18)13-15-7-3-2-4-8-15/h2-10,20H,11-14H2,1H3/t18-/m1/s1
InChIKeyPZOZADPMRUXIJH-GOSISDBHSA-N
XLogP2.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
1-benzyl-3-[2-[(2,5-difluorophenyl)methyl]phenyl]pyrrolidin-3-ol;hydrobromide
CID 12804773
1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
CID 44514801
1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46966235
1-(2,2-dimethyl-3-piperidin-1-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965801
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(2-methoxyphenyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 46966006
1-benzyl-3-(4-bromo-2,5-difluorophenyl)pyrrolidin-3-ol
CID 19915200
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
CID 130546152

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol (CID 129372424) is (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol is COc1ccccc1[C@@]1(O)CCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is PZOZADPMRUXIJH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-17-10-6-5-9-16(17)18(20)11-12-19(14-18)13-15-7-3-2-4-8-15/h2-10,20H,11-14H2,1H3/t18-/m1/s1.
What are the key properties of (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol?
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 283.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129372424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).