(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol

C16H25NO2 — CID 101213323

IUPAC(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCOc1ccc(C(O)[C@H]2CCCN2CC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)11-17-10-4-5-15(17)16(18)13-6-8-14(19-3)9-7-13/h6-9,12,15-16,18H,4-5,10-11H2,1-3H3/t15-,16?/m1/s1
InChIKeyXYKQMMDLZPZMKU-AAFJCEBUSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds5

About (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol

(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 101213323) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
PubChem CID101213323
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
SMILESCOc1ccc(C(O)[C@H]2CCCN2CC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)11-17-10-4-5-15(17)16(18)13-6-8-14(19-3)9-7-13/h6-9,12,15-16,18H,4-5,10-11H2,1-3H3/t15-,16?/m1/s1
InChIKeyXYKQMMDLZPZMKU-AAFJCEBUSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-[hydroxy-(4-methoxyphenyl)methyl]piperidin-1-yl]ethanone
CID 110174725
(4-methoxyphenyl)-[(2S)-1-tritylpyrrolidin-2-yl]methanol
CID 177412112
cyclohexyl-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 97063459
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol
CID 139630400
2-(3,4-dimethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986310
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
CID 110880168
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694
4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
CID 83987245

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol (CID 101213323) is (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol is COc1ccc(C(O)[C@H]2CCCN2CC(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is XYKQMMDLZPZMKU-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)11-17-10-4-5-15(17)16(18)13-6-8-14(19-3)9-7-13/h6-9,12,15-16,18H,4-5,10-11H2,1-3H3/t15-,16?/m1/s1.
What are the key properties of (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol?
(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 101213323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).