2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C28H34N2O3 — CID 20759225

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESOCC(NC(CN1CCCC1)C(O)c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H34N2O3/c31-20-27(23-11-5-2-6-12-23)29-26(19-30-17-7-8-18-30)28(32)24-13-15-25(16-14-24)33-21-22-9-3-1-4-10-22/h1-6,9-16,26-29,31-32H,7-8,17-21H2
InChIKeySFVVEJUOLXXQHM-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.09
Rot. Bonds11

About 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 20759225) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID20759225
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESOCC(NC(CN1CCCC1)C(O)c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H34N2O3/c31-20-27(23-11-5-2-6-12-23)29-26(19-30-17-7-8-18-30)28(32)24-13-15-25(16-14-24)33-21-22-9-3-1-4-10-22/h1-6,9-16,26-29,31-32H,7-8,17-21H2
InChIKeySFVVEJUOLXXQHM-UHFFFAOYSA-N
XLogP4.09
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol with MolForge

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Related Compounds

(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-pyrrolidin-1-ylpropan-1-ol
CID 164791358
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 3102574
(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 822969
[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
CID 68513118
1-(4-phenoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 57207345
1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685367
1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972
N-[(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(3-phenoxyphenyl)acetamide
CID 67302811
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
2-(benzylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;ethane;methanol
CID 145298385

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 20759225) is 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is OCC(NC(CN1CCCC1)C(O)c1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is SFVVEJUOLXXQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c31-20-27(23-11-5-2-6-12-23)29-26(19-30-17-7-8-18-30)28(32)24-13-15-25(16-14-24)33-21-22-9-3-1-4-10-22/h1-6,9-16,26-29,31-32H,7-8,17-21H2.
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 446.59 g/mol, XLogP of 4.09, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]-1-(4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 20759225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).