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

C21H28ClNO — CID 162665156

IUPAC[(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)15-22-14-2-3-21(22)16-23;/h4-7,10-13,21,23H,2-3,8-9,14-16H2,1H3;1H/t21-;/m1./s1
InChIKeyDRMZEGKNZVSPOZ-ZMBIFBSDSA-N
MW345.91 g/mol
LogP4.16
Rot. Bonds6

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

[(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 162665156) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is [(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID162665156
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name[(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)15-22-14-2-3-21(22)16-23;/h4-7,10-13,21,23H,2-3,8-9,14-16H2,1H3;1H/t21-;/m1./s1
InChIKeyDRMZEGKNZVSPOZ-ZMBIFBSDSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.16
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-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride (CID 162665156) is [(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride is Cc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl.
What is the InChIKey of [(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is DRMZEGKNZVSPOZ-ZMBIFBSDSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)15-22-14-2-3-21(22)16-23;/h4-7,10-13,21,23H,2-3,8-9,14-16H2,1H3;1H/t21-;/m1./s1.
What are the key properties of [(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2R)-1-[[4-[2-(4-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.16, 6 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-methylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 162665156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).