2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol

C18H24N2OS — CID 111755658

IUPAC2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol
SMILESOC(CNC1CCN(CCc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C18H24N2OS/c21-18(16-8-11-22-14-16)12-19-17-7-10-20(13-17)9-6-15-4-2-1-3-5-15/h1-5,8,11,14,17-19,21H,6-7,9-10,12-13H2
InChIKeyKMBPMZCWDNCBDM-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.69
Rot. Bonds7

About 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol

2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol (PubChem CID 111755658) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol
PubChem CID111755658
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol
SMILESOC(CNC1CCN(CCc2ccccc2)C1)c1ccsc1
InChIInChI=1S/C18H24N2OS/c21-18(16-8-11-22-14-16)12-19-17-7-10-20(13-17)9-6-15-4-2-1-3-5-15/h1-5,8,11,14,17-19,21H,6-7,9-10,12-13H2
InChIKeyKMBPMZCWDNCBDM-UHFFFAOYSA-N
XLogP2.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.69
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
1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 111755539
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61212133
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
CID 103922220
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111443812
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol (CID 111755658) is 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol is OC(CNC1CCN(CCc2ccccc2)C1)c1ccsc1.
What is the InChIKey of 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol?
The InChIKey is KMBPMZCWDNCBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c21-18(16-8-11-22-14-16)12-19-17-7-10-20(13-17)9-6-15-4-2-1-3-5-15/h1-5,8,11,14,17-19,21H,6-7,9-10,12-13H2.
What are the key properties of 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol?
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol has a molecular weight of 316.47 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 111755658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).