(2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine

C23H25NOS — CID 59752927

IUPAC(2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine
SMILESCN1CCC[C@@H]1COc1ccc(Cc2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C23H25NOS/c1-24-13-2-3-22(24)16-25-23-10-6-19(7-11-23)15-18-4-8-20(9-5-18)21-12-14-26-17-21/h4-12,14,17,22H,2-3,13,15-16H2,1H3/t22-/m1/s1
InChIKeyUNBMMWAUWDKUAC-JOCHJYFZSA-N
MW363.53 g/mol
LogP5.48
Rot. Bonds6

About (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine

(2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine (PubChem CID 59752927) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine
PubChem CID59752927
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name(2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine
SMILESCN1CCC[C@@H]1COc1ccc(Cc2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C23H25NOS/c1-24-13-2-3-22(24)16-25-23-10-6-19(7-11-23)15-18-4-8-20(9-5-18)21-12-14-26-17-21/h4-12,14,17,22H,2-3,13,15-16H2,1H3/t22-/m1/s1
InChIKeyUNBMMWAUWDKUAC-JOCHJYFZSA-N
XLogP5.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-((4-(4-(thiophen-3-yl)phenoxy)phenoxy)methyl)piperidine
CID 46888240
1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10708447
(R)-4-(2-((4-(4-(thiophen-3-yl)benzyl)phenoxy)methyl)piperidin-1-yl)butanoic acid
CID 46888241
1-[2-[4-[2-(3-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine
CID 44202271
1-[2-(5-Benzyl-thiophen-2-yloxy)-ethyl]-pyrrolidine
CID 10708448
1-[2-(4-Phenylsulfanylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10829025
Dimethyl-[2-[4-[2-(3-thienyl)benzothiophen-3-yl]phenoxy]ethyl]amine
CID 44202260
N,N-dipropyl-8-thiophen-3-yl-3,4-dihydro-2H-chromen-3-amine
CID 44287333
Dimethyl-{2-[4-(4-thiophen-2-yl-2,3-dihydrobenzo[b]oxepin-5-yl)-phenoxy]-ethyl}-amine
CID 44590138
(R)-2-[4-(4-Thiophen-3-yl-benzyl)phenoxymethyl]pyrrolidine
CID 44818806
(S)-2-((4-(4-(thiophen-2-yl)benzyl)phenoxy)methyl)piperidine
CID 46888192
(S)-2-((4-(4-(thiophen-3-yl)benzyl)phenoxy)methyl)piperidine
CID 46888239

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine?
The IUPAC name of (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine (CID 59752927) is (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine.
What is the SMILES notation for (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine?
The canonical SMILES for (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine is CN1CCC[C@@H]1COc1ccc(Cc2ccc(-c3ccsc3)cc2)cc1.
What is the InChIKey of (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine?
The InChIKey is UNBMMWAUWDKUAC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25NOS/c1-24-13-2-3-22(24)16-25-23-10-6-19(7-11-23)15-18-4-8-20(9-5-18)21-12-14-26-17-21/h4-12,14,17,22H,2-3,13,15-16H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine?
(2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine has a molecular weight of 363.53 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-[[4-[(4-thiophen-3-ylphenyl)methyl]phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 59752927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).