[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol

C27H33NO2 — CID 66689325

IUPAC[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C27H33NO2/c29-21-26-11-7-16-28(26)20-23-12-13-25-19-27(15-14-24(25)18-23)30-17-6-2-5-10-22-8-3-1-4-9-22/h1,3-4,8-9,12-15,18-19,26,29H,2,5-7,10-11,16-17,20-21H2/t26-/m1/s1
InChIKeyZXWHWFRWNKKXGT-AREMUKBSSA-N
MW403.57 g/mol
LogP5.59
Rot. Bonds10

About [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 66689325) has the molecular formula C27H33NO2 and a molecular weight of 403.57 g/mol. Its IUPAC name is [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID66689325
Molecular FormulaC27H33NO2
Molecular Weight403.57 g/mol
Exact Mass403.25
IUPAC Name[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1
InChIInChI=1S/C27H33NO2/c29-21-26-11-7-16-28(26)20-23-12-13-25-19-27(15-14-24(25)18-23)30-17-6-2-5-10-22-8-3-1-4-9-22/h1,3-4,8-9,12-15,18-19,26,29H,2,5-7,10-11,16-17,20-21H2/t26-/m1/s1
InChIKeyZXWHWFRWNKKXGT-AREMUKBSSA-N
XLogP5.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 162650307
[(2R)-1-[[4-[[3-(2-phenylethyl)phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 155535418
1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 66852965
1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]-1,4-diazepane
CID 66689962
N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine
CID 66689031
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2R)-1-[[4-[[3-[(3-fluorophenyl)methoxy]phenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 155536715

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 66689325) is [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1.
What is the InChIKey of [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZXWHWFRWNKKXGT-AREMUKBSSA-N. The full InChI is InChI=1S/C27H33NO2/c29-21-26-11-7-16-28(26)20-23-12-13-25-19-27(15-14-24(25)18-23)30-17-6-2-5-10-22-8-3-1-4-9-22/h1,3-4,8-9,12-15,18-19,26,29H,2,5-7,10-11,16-17,20-21H2/t26-/m1/s1.
What are the key properties of [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 403.57 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66689325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).