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

C24H34ClNO — CID 162663948

IUPAC[(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl
InChIInChI=1S/C24H33NO.ClH/c1-2-3-5-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)18-25-17-4-6-24(25)19-26;/h7-10,13-16,24,26H,2-6,11-12,17-19H2,1H3;1H/t24-;/m1./s1
InChIKeyMTWAHKYYJQXOLW-GJFSDDNBSA-N
MW388.00 g/mol
LogP5.19
Rot. Bonds9

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

[(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 162663948) has the molecular formula C24H34ClNO and a molecular weight of 388.00 g/mol. Its IUPAC name is [(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID162663948
Molecular FormulaC24H34ClNO
Molecular Weight388.00 g/mol
Exact Mass387.23
IUPAC Name[(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCCCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl
InChIInChI=1S/C24H33NO.ClH/c1-2-3-5-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)18-25-17-4-6-24(25)19-26;/h7-10,13-16,24,26H,2-6,11-12,17-19H2,1H3;1H/t24-;/m1./s1
InChIKeyMTWAHKYYJQXOLW-GJFSDDNBSA-N
XLogP5.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.00
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-yl]methanol
CID 44454745
[(2R)-1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-yl]methanol
CID 44454768
RB-042 HCl
CID 72735621
[1-[(4-Phenylphenyl)methyl]piperidin-3-yl]methanol
CID 2842874
[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
CID 44598248
(2R)-2-[(2S,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
CID 44598250
[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162654890
[(2R)-1-[(4-dodecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162661440
[(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162665044
[(2R)-1-[2-(4-octylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735619
[(2S)-1-[2-(4-octylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735620

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride (CID 162663948) is [(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride is CCCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1.Cl.
What is the InChIKey of [(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is MTWAHKYYJQXOLW-GJFSDDNBSA-N. The full InChI is InChI=1S/C24H33NO.ClH/c1-2-3-5-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)18-25-17-4-6-24(25)19-26;/h7-10,13-16,24,26H,2-6,11-12,17-19H2,1H3;1H/t24-;/m1./s1.
What are the key properties of [(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2R)-1-[[4-[2-(4-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 388.00 g/mol, XLogP of 5.19, 9 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-butylphenyl)ethyl]phenyl]methyl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 162663948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).