[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol

C12H17NO — CID 101194740

IUPAC[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
SMILESC[C@H]1CN[C@H](C(O)c2ccccc2)C1
InChIInChI=1S/C12H17NO/c1-9-7-11(13-8-9)12(14)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/t9-,11+,12?/m1/s1
InChIKeyJPNNWSYYGVSJCV-BVAQLPTGSA-N
MW191.27 g/mol
LogP1.72
Rot. Bonds2

About [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol

[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol (PubChem CID 101194740) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
PubChem CID101194740
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
SMILESC[C@H]1CN[C@H](C(O)c2ccccc2)C1
InChIInChI=1S/C12H17NO/c1-9-7-11(13-8-9)12(14)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/t9-,11+,12?/m1/s1
InChIKeyJPNNWSYYGVSJCV-BVAQLPTGSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(R)-[(1S,5R)-5-methylcyclohex-2-en-1-yl]-phenylmethanol
CID 10608189
2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol
CID 101194744
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol
CID 162391375
(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 178103010
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
(1,4-dimethylpiperidin-2-yl)-phenylmethanol
CID 68502883
phenyl-(5-phenylpyrrolidin-2-yl)methanol
CID 70528042
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol?
The IUPAC name of [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol (CID 101194740) is [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol.
What is the SMILES notation for [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol?
The canonical SMILES for [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol is C[C@H]1CN[C@H](C(O)c2ccccc2)C1.
What is the InChIKey of [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol?
The InChIKey is JPNNWSYYGVSJCV-BVAQLPTGSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-11(13-8-9)12(14)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/t9-,11+,12?/m1/s1.
What are the key properties of [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol?
[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol has a molecular weight of 191.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol is sourced from PubChem (CID 101194740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).