[(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride

C23H32ClNO — CID 162660229

IUPAC[(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl
InChIInChI=1S/C23H31NO.ClH/c1-2-4-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)17-24-16-3-5-23(24)18-25;/h6-9,12-15,23,25H,2-5,10-11,16-18H2,1H3;1H/t23-;/m1./s1
InChIKeyLDMADZIVTUMTGK-GNAFDRTKSA-N
MW373.97 g/mol
LogP4.80
Rot. Bonds8

About [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride

[(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 162660229) has the molecular formula C23H32ClNO and a molecular weight of 373.97 g/mol. Its IUPAC name is [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID162660229
Molecular FormulaC23H32ClNO
Molecular Weight373.97 g/mol
Exact Mass373.22
IUPAC Name[(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl
InChIInChI=1S/C23H31NO.ClH/c1-2-4-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)17-24-16-3-5-23(24)18-25;/h6-9,12-15,23,25H,2-5,10-11,16-18H2,1H3;1H/t23-;/m1./s1
InChIKeyLDMADZIVTUMTGK-GNAFDRTKSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride (CID 162660229) is [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride is CCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl.
What is the InChIKey of [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is LDMADZIVTUMTGK-GNAFDRTKSA-N. The full InChI is InChI=1S/C23H31NO.ClH/c1-2-4-19-6-8-20(9-7-19)10-11-21-12-14-22(15-13-21)17-24-16-3-5-23(24)18-25;/h6-9,12-15,23,25H,2-5,10-11,16-18H2,1H3;1H/t23-;/m1./s1.
What are the key properties of [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[4-[2-(4-propylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 162660229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).