[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol

C26H29NO2 — CID 139823105

IUPAC[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
SMILESOC(c1ccc(OCc2ccccc2)cc1)C1CCC(CCc2ccccc2)N1
InChIInChI=1S/C26H29NO2/c28-26(25-18-15-23(27-25)14-11-20-7-3-1-4-8-20)22-12-16-24(17-13-22)29-19-21-9-5-2-6-10-21/h1-10,12-13,16-17,23,25-28H,11,14-15,18-19H2
InChIKeyKIZMWLVBYMFIIQ-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.05
Rot. Bonds8

About [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol

[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol (PubChem CID 139823105) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
PubChem CID139823105
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
SMILESOC(c1ccc(OCc2ccccc2)cc1)C1CCC(CCc2ccccc2)N1
InChIInChI=1S/C26H29NO2/c28-26(25-18-15-23(27-25)14-11-20-7-3-1-4-8-20)22-12-16-24(17-13-22)29-19-21-9-5-2-6-10-21/h1-10,12-13,16-17,23,25-28H,11,14-15,18-19H2
InChIKeyKIZMWLVBYMFIIQ-UHFFFAOYSA-N
XLogP5.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[2-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 54560286
(S)-(3-phenylmethoxyphenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 150322644
(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 11172882
(3-phenylmethoxyphenyl)-(6-propylpiperidin-2-yl)methanol
CID 138481027
[(2R)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol
CID 144715838
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol
CID 130406647
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
2-(cyclopropylmethylamino)-1-(4-phenylmethoxyphenyl)ethanol;ethane
CID 145365424

Frequently Asked Questions

What is the IUPAC name of [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol?
The IUPAC name of [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol (CID 139823105) is [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol.
What is the SMILES notation for [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol?
The canonical SMILES for [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol is OC(c1ccc(OCc2ccccc2)cc1)C1CCC(CCc2ccccc2)N1.
What is the InChIKey of [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol?
The InChIKey is KIZMWLVBYMFIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c28-26(25-18-15-23(27-25)14-11-20-7-3-1-4-8-20)22-12-16-24(17-13-22)29-19-21-9-5-2-6-10-21/h1-10,12-13,16-17,23,25-28H,11,14-15,18-19H2.
What are the key properties of [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol?
[5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol has a molecular weight of 387.52 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylethyl)pyrrolidin-2-yl]-(4-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 139823105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).