(2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine

C23H35N3OS — CID 175820792

IUPAC(2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine
SMILESCCO[C@@H](CN)C1(CCc2cccs2)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C23H35N3OS/c1-5-27-21(15-24)23(11-10-20-7-6-14-28-20)12-13-26(17-23)22(3,4)19-9-8-18(2)25-16-19/h6-9,14,16,21H,5,10-13,15,17,24H2,1-4H3/t21-,23?/m0/s1
InChIKeyWFJFXSIODYGDTD-BBQAJUCSSA-N
MW401.62 g/mol
LogP4.38
Rot. Bonds9

About (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine

(2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 175820792) has the molecular formula C23H35N3OS and a molecular weight of 401.62 g/mol. Its IUPAC name is (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name(2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine
PubChem CID175820792
Molecular FormulaC23H35N3OS
Molecular Weight401.62 g/mol
Exact Mass401.25
IUPAC Name(2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine
SMILESCCO[C@@H](CN)C1(CCc2cccs2)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C23H35N3OS/c1-5-27-21(15-24)23(11-10-20-7-6-14-28-20)12-13-26(17-23)22(3,4)19-9-8-18(2)25-16-19/h6-9,14,16,21H,5,10-13,15,17,24H2,1-4H3/t21-,23?/m0/s1
InChIKeyWFJFXSIODYGDTD-BBQAJUCSSA-N
XLogP4.38
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[(3S)-3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 166506710
5-[2-[(3R)-3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 135322784
5-[2-[(3R)-3-(difluoromethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 175820731
5-[2-[3-[ethoxy(pyridin-4-yl)methyl]-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 162430683
2-methyl-5-[2-[(3S)-3-[(2S)-oxolan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]pyridine
CID 175845814
5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 166506678
5-[1-[3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135322805
5-[1-[(3S)-3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 166506578
propan-2-yl N-[(1S)-1-[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]carbamate
CID 166571760
2-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 166506707
5-[2-[3-(5,5-dimethyloxolan-2-yl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine;2-ethylthiophene
CID 142429972
[(1R)-1-[3-[2-(5-fluorothiophen-2-yl)ethyl]-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl] N-phenylcarbamate
CID 162430588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine (CID 175820792) is (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine is CCO[C@@H](CN)C1(CCc2cccs2)CCN(C(C)(C)c2ccc(C)nc2)C1.
What is the InChIKey of (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is WFJFXSIODYGDTD-BBQAJUCSSA-N. The full InChI is InChI=1S/C23H35N3OS/c1-5-27-21(15-24)23(11-10-20-7-6-14-28-20)12-13-26(17-23)22(3,4)19-9-8-18(2)25-16-19/h6-9,14,16,21H,5,10-13,15,17,24H2,1-4H3/t21-,23?/m0/s1.
What are the key properties of (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine?
(2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 401.62 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-2-[1-[2-(6-methyl-3-pyridinyl)propan-2-yl]-3-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 175820792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).