(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol

C14H21NO — CID 162391391

IUPAC(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol
SMILESCc1cccc([C@@H](O)[C@H]2CCC(C)(C)N2)c1
InChIInChI=1S/C14H21NO/c1-10-5-4-6-11(9-10)13(16)12-7-8-14(2,3)15-12/h4-6,9,12-13,15-16H,7-8H2,1-3H3/t12-,13-/m1/s1
InChIKeyZHPIKXLISIYMMP-CHWSQXEVSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds2

About (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol

(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol (PubChem CID 162391391) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol.

Molecular Properties

Compound Name(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol
PubChem CID162391391
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol
SMILESCc1cccc([C@@H](O)[C@H]2CCC(C)(C)N2)c1
InChIInChI=1S/C14H21NO/c1-10-5-4-6-11(9-10)13(16)12-7-8-14(2,3)15-12/h4-6,9,12-13,15-16H,7-8H2,1-3H3/t12-,13-/m1/s1
InChIKeyZHPIKXLISIYMMP-CHWSQXEVSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-hydroxymethyl]phenol
CID 155134303
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
CID 155127031
(S)-(5,5-dimethylpyrrolidin-2-yl)-(2-fluorophenyl)methanol
CID 155127118
(S)-(4-amino-3,5-difluorophenyl)-[(2R)-5,5-dimethylpyrrolidin-2-yl]methanol
CID 155127158
(4-amino-3,5-difluorophenyl)-[(2R)-5,5-dimethylpyrrolidin-2-yl]methanol
CID 155127140
[3-[[(2R)-6,6-dimethylpiperidin-2-yl]-hydroxymethyl]phenyl] acetate
CID 155127057
(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol
CID 70515421
(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
CID 155126922
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327
(R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol
CID 130810989
(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
CID 155126943
[(2S)-6,6-dimethylpiperidin-2-yl]-(2-fluorophenyl)methanol
CID 155126963

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol?
The IUPAC name of (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol (CID 162391391) is (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol.
What is the SMILES notation for (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol?
The canonical SMILES for (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol is Cc1cccc([C@@H](O)[C@H]2CCC(C)(C)N2)c1.
What is the InChIKey of (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol?
The InChIKey is ZHPIKXLISIYMMP-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-4-6-11(9-10)13(16)12-7-8-14(2,3)15-12/h4-6,9,12-13,15-16H,7-8H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol?
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol has a molecular weight of 219.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol is sourced from PubChem (CID 162391391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).