2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine

C18H20ClNO — CID 54547575

IUPAC2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine
SMILESClc1ccc(OC(CC2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H20ClNO/c19-15-8-10-17(11-9-15)21-18(13-16-7-4-12-20-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,16,18,20H,4,7,12-13H2
InChIKeyZHPMABKMEDSVJZ-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.60
Rot. Bonds5

About 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine

2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine (PubChem CID 54547575) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine
PubChem CID54547575
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine
SMILESClc1ccc(OC(CC2CCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H20ClNO/c19-15-8-10-17(11-9-15)21-18(13-16-7-4-12-20-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,16,18,20H,4,7,12-13H2
InChIKeyZHPMABKMEDSVJZ-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-phenyl-2-[4-(trifluoromethylsulfanyl)phenoxy]ethyl]piperidine
CID 57076004
(2S)-2-[1-(4-chlorophenoxy)-3-phenylpropyl]pyrrolidine
CID 11381502
2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485071
2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511547
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
cumene;pyrrolidin-2-ylmethanol
CID 142237933
1-phenyl-2-(pyrrolidin-2-ylmethoxy)ethanol
CID 106939448
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine?
The IUPAC name of 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine (CID 54547575) is 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine?
The canonical SMILES for 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine is Clc1ccc(OC(CC2CCCN2)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine?
The InChIKey is ZHPMABKMEDSVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-15-8-10-17(11-9-15)21-18(13-16-7-4-12-20-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,16,18,20H,4,7,12-13H2.
What are the key properties of 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine?
2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine has a molecular weight of 301.82 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine is sourced from PubChem (CID 54547575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).