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

C20H26N2O — CID 110901793

IUPAC1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
SMILESOC(CNC1CCN(CCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C20H26N2O/c23-20(18-9-5-2-6-10-18)15-21-19-12-14-22(16-19)13-11-17-7-3-1-4-8-17/h1-10,19-21,23H,11-16H2
InChIKeyIWJQGNICECPMMG-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.63
Rot. Bonds7

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

1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol (PubChem CID 110901793) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
PubChem CID110901793
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
SMILESOC(CNC1CCN(CCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C20H26N2O/c23-20(18-9-5-2-6-10-18)15-21-19-12-14-22(16-19)13-11-17-7-3-1-4-8-17/h1-10,19-21,23H,11-16H2
InChIKeyIWJQGNICECPMMG-UHFFFAOYSA-N
XLogP2.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol
CID 111755658
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
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol?
The IUPAC name of 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol (CID 110901793) is 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol?
The canonical SMILES for 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol is OC(CNC1CCN(CCc2ccccc2)C1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol?
The InChIKey is IWJQGNICECPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c23-20(18-9-5-2-6-10-18)15-21-19-12-14-22(16-19)13-11-17-7-3-1-4-8-17/h1-10,19-21,23H,11-16H2.
What are the key properties of 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol?
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol has a molecular weight of 310.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol is sourced from PubChem (CID 110901793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).