(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol

C13H19NO — CID 162391375

IUPAC(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol
SMILESCC1(C)CC[C@H]([C@H](O)c2ccccc2)N1
InChIInChI=1S/C13H19NO/c1-13(2)9-8-11(14-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,14-15H,8-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyDAGTWUIYYQUJGV-VXGBXAGGSA-N
MW205.30 g/mol
LogP2.25
Rot. Bonds2

About (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol

(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol (PubChem CID 162391375) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol
PubChem CID162391375
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol
SMILESCC1(C)CC[C@H]([C@H](O)c2ccccc2)N1
InChIInChI=1S/C13H19NO/c1-13(2)9-8-11(14-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,14-15H,8-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyDAGTWUIYYQUJGV-VXGBXAGGSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.25
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
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol
CID 162391391
(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
[(2S)-6,6-dimethylpiperidin-2-yl]-(2-fluorophenyl)methanol
CID 155126963
(4-amino-3,5-difluorophenyl)-[(2R)-5,5-dimethylpyrrolidin-2-yl]methanol
CID 155127140
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
CID 155127031
(1S)-1-[(2S)-5,5-dimethylpyrrolidin-2-yl]-2-[methyl(diphenyl)-λ4-sulfanyl]ethanol
CID 155010711
(3,4-dichlorophenyl)-(6,6-dimethylpiperidin-2-yl)methanol
CID 70515421
[3-[[(2R)-6,6-dimethylpiperidin-2-yl]-hydroxymethyl]phenyl] acetate
CID 155127057
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
CID 101194740

Frequently Asked Questions

What is the IUPAC name of (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol (CID 162391375) is (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol is CC1(C)CC[C@H]([C@H](O)c2ccccc2)N1.
What is the InChIKey of (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol?
The InChIKey is DAGTWUIYYQUJGV-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)9-8-11(14-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,14-15H,8-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol?
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol has a molecular weight of 205.30 g/mol, XLogP of 2.25, 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]-phenylmethanol is sourced from PubChem (CID 162391375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).