(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine

C21H26ClNO — CID 91433359

IUPAC(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine
SMILES[2H][C@]1(CCO[C@](C)(c2ccccc2)c2ccc(Cl)cc2)CCCN1C
InChIInChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1/i20D
InChIKeyYNNUSGIPVFPVBX-YDDRAIKYSA-N
MW344.90 g/mol
LogP5.10
Rot. Bonds6

About (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine

(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine (PubChem CID 91433359) has the molecular formula C21H26ClNO and a molecular weight of 344.90 g/mol. Its IUPAC name is (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine
PubChem CID91433359
Molecular FormulaC21H26ClNO
Molecular Weight344.90 g/mol
Exact Mass344.18
IUPAC Name(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine
SMILES[2H][C@]1(CCO[C@](C)(c2ccccc2)c2ccc(Cl)cc2)CCCN1C
InChIInChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1/i20D
InChIKeyYNNUSGIPVFPVBX-YDDRAIKYSA-N
XLogP5.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.90
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

but-2-enedioic acid;2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 53394933
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]-1,1,2,2-tetradeuterioethyl]-1-(trideuteriomethyl)pyrrolidine
CID 87619465
2-[(1S)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl-dimethylazanium
CID 38988829
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride
CID 11223
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidin-1-ium;(E)-4-hydroxy-4-oxobut-2-enoate
CID 6426695
2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
CID 45267220
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N-diphenoxyphosphoryl-N-methylethanamine
CID 91470329
[4-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 67804027
(2R)-2-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]-1-methylpyrrolidine
CID 124942694
(2R)-2-(4-chlorophenyl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]propan-2-ol
CID 142125213
(1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol
CID 170366184

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine (CID 91433359) is (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine is [2H][C@]1(CCO[C@](C)(c2ccccc2)c2ccc(Cl)cc2)CCCN1C.
What is the InChIKey of (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine?
The InChIKey is YNNUSGIPVFPVBX-YDDRAIKYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1/i20D.
What are the key properties of (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine?
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine has a molecular weight of 344.90 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine is sourced from PubChem (CID 91433359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).