1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride

C19H22BrClFNO — CID 3024525

IUPAC1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(C(OCCN2CCCC2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrFNO.ClH/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22;/h3-10,19H,1-2,11-14H2;1H
InChIKeyZQXBFQMZYRJGQX-UHFFFAOYSA-N
MW414.75 g/mol
LogP5.21
Rot. Bonds6

About 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride

1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride (PubChem CID 3024525) has the molecular formula C19H22BrClFNO and a molecular weight of 414.75 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
PubChem CID3024525
Molecular FormulaC19H22BrClFNO
Molecular Weight414.75 g/mol
Exact Mass413.06
IUPAC Name1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
SMILESCl.Fc1ccc(C(OCCN2CCCC2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrFNO.ClH/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22;/h3-10,19H,1-2,11-14H2;1H
InChIKeyZQXBFQMZYRJGQX-UHFFFAOYSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.75
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]-4-prop-2-ynylpiperazine;dihydrochloride
CID 88633293
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
CID 10875649
1-[2-[(R)-(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidin-1-ium
CID 6959565
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-methylpiperazine-1-carbothioamide;hydrochloride
CID 23371521
1-(2-benzhydryloxyethyl)azetidine
CID 23275348

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride (CID 3024525) is 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride is Cl.Fc1ccc(C(OCCN2CCCC2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride?
The InChIKey is ZQXBFQMZYRJGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO.ClH/c20-17-7-3-15(4-8-17)19(16-5-9-18(21)10-6-16)23-14-13-22-11-1-2-12-22;/h3-10,19H,1-2,11-14H2;1H.
What are the key properties of 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride?
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride has a molecular weight of 414.75 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 3024525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).