2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol

C19H22FNO — CID 71870164

IUPAC2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-14-4-6-16(7-5-14)19(22)13-21-12-2-3-18(21)15-8-10-17(20)11-9-15/h4-11,18-19,22H,2-3,12-13H2,1H3
InChIKeyUZHVMMYTMPFKFL-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.00
Rot. Bonds4

About 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol (PubChem CID 71870164) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol
PubChem CID71870164
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CN2CCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-14-4-6-16(7-5-14)19(22)13-21-12-2-3-18(21)15-8-10-17(20)11-9-15/h4-11,18-19,22H,2-3,12-13H2,1H3
InChIKeyUZHVMMYTMPFKFL-UHFFFAOYSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol (CID 71870164) is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CN2CCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol?
The InChIKey is UZHVMMYTMPFKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-14-4-6-16(7-5-14)19(22)13-21-12-2-3-18(21)15-8-10-17(20)11-9-15/h4-11,18-19,22H,2-3,12-13H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol?
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol has a molecular weight of 299.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 71870164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).