1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol

C21H28N2O2 — CID 111755539

IUPAC1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
SMILESCOc1cccc(C(O)CNC2CCN(CCc3ccccc3)C2)c1
InChIInChI=1S/C21H28N2O2/c1-25-20-9-5-8-18(14-20)21(24)15-22-19-11-13-23(16-19)12-10-17-6-3-2-4-7-17/h2-9,14,19,21-22,24H,10-13,15-16H2,1H3
InChIKeyOCTFMMPDEFYPHC-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.64
Rot. Bonds8

About 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol

1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol (PubChem CID 111755539) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
PubChem CID111755539
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
SMILESCOc1cccc(C(O)CNC2CCN(CCc3ccccc3)C2)c1
InChIInChI=1S/C21H28N2O2/c1-25-20-9-5-8-18(14-20)21(24)15-22-19-11-13-23(16-19)12-10-17-6-3-2-4-7-17/h2-9,14,19,21-22,24H,10-13,15-16H2,1H3
InChIKeyOCTFMMPDEFYPHC-UHFFFAOYSA-N
XLogP2.64
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol
CID 111755658
N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61212133
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 25205437
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 81133622

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol (CID 111755539) is 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol is COc1cccc(C(O)CNC2CCN(CCc3ccccc3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol?
The InChIKey is OCTFMMPDEFYPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-25-20-9-5-8-18(14-20)21(24)15-22-19-11-13-23(16-19)12-10-17-6-3-2-4-7-17/h2-9,14,19,21-22,24H,10-13,15-16H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol?
1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol has a molecular weight of 340.47 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol is sourced from PubChem (CID 111755539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).