5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]

C19H20ClNO2 — CID 121418637

IUPAC5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
SMILESClc1ccc2c(c1)CC1(CCN(CCOc3ccccc3)C1)O2
InChIInChI=1S/C19H20ClNO2/c20-16-6-7-18-15(12-16)13-19(23-18)8-9-21(14-19)10-11-22-17-4-2-1-3-5-17/h1-7,12H,8-11,13-14H2
InChIKeyKNNGOUKDQBSIQK-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.80
Rot. Bonds4

About 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]

5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine] (PubChem CID 121418637) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine].

Molecular Properties

Compound Name5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
PubChem CID121418637
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
SMILESClc1ccc2c(c1)CC1(CCN(CCOc3ccccc3)C1)O2
InChIInChI=1S/C19H20ClNO2/c20-16-6-7-18-15(12-16)13-19(23-18)8-9-21(14-19)10-11-22-17-4-2-1-3-5-17/h1-7,12H,8-11,13-14H2
InChIKeyKNNGOUKDQBSIQK-UHFFFAOYSA-N
XLogP3.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1'-(4,4-diphenylbutyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318086
2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047498
3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol
CID 71713916
[4-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 69018158
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 110456922
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
(2R)-1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 11327091
[2-[2-[3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]anilino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67160703
(5S,9S)-2-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124810413
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047486
(2R)-1-(4-chloro-3-ethylphenoxy)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-2-ol
CID 11178070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The IUPAC name of 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine] (CID 121418637) is 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine].
What is the SMILES notation for 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The canonical SMILES for 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine] is Clc1ccc2c(c1)CC1(CCN(CCOc3ccccc3)C1)O2.
What is the InChIKey of 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]?
The InChIKey is KNNGOUKDQBSIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-16-6-7-18-15(12-16)13-19(23-18)8-9-21(14-19)10-11-22-17-4-2-1-3-5-17/h1-7,12H,8-11,13-14H2.
What are the key properties of 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]?
5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine] has a molecular weight of 329.83 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine] is sourced from PubChem (CID 121418637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).