1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride

C18H21ClNO- — CID 21228853

IUPAC1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
SMILES[Cl-].c1ccc(OCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C18H21NO.ClH/c1-3-9-16(10-4-1)18(19-13-7-8-14-19)15-20-17-11-5-2-6-12-17;/h1-6,9-12,18H,7-8,13-15H2;1H/p-1
InChIKeyFTKYZMBJYTZAAY-UHFFFAOYSA-M
MW302.83 g/mol
LogP0.91
Rot. Bonds5

About 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride

1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride (PubChem CID 21228853) has the molecular formula C18H21ClNO- and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride.

Molecular Properties

Compound Name1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
PubChem CID21228853
Molecular FormulaC18H21ClNO-
Molecular Weight302.83 g/mol
Exact Mass302.13
IUPAC Name1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
SMILES[Cl-].c1ccc(OCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C18H21NO.ClH/c1-3-9-16(10-4-1)18(19-13-7-8-14-19)15-20-17-11-5-2-6-12-17;/h1-6,9-12,18H,7-8,13-15H2;1H/p-1
InChIKeyFTKYZMBJYTZAAY-UHFFFAOYSA-M
XLogP0.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
1-(azepan-1-yl)-2-phenoxyethanol
CID 70421619
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
2-(cyclopropylamino)-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]ethanone
CID 157016143
4-[[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methyl]-1,2-thiazole
CID 157011589
3-cyclopropyl-1-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]propan-1-one
CID 157011519
[3-(hydroxymethyl)azetidin-3-yl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157015324
(2-phenyl-2-piperidin-1-ylethyl) 2,2-diphenylacetate;hydrochloride
CID 86127745
[1-(methoxymethyl)cyclopropyl]-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157014799
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
N,N-dimethyl-5-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]-1,2,4-thiadiazol-3-amine
CID 166622197

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride?
The IUPAC name of 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride (CID 21228853) is 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride.
What is the SMILES notation for 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride?
The canonical SMILES for 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride is [Cl-].c1ccc(OCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride?
The InChIKey is FTKYZMBJYTZAAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21NO.ClH/c1-3-9-16(10-4-1)18(19-13-7-8-14-19)15-20-17-11-5-2-6-12-17;/h1-6,9-12,18H,7-8,13-15H2;1H/p-1.
What are the key properties of 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride?
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride has a molecular weight of 302.83 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride is sourced from PubChem (CID 21228853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).