(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol

C14H21NO2 — CID 102782294

IUPAC(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
SMILESCC1CCN(c2ccc([C@@H](C)O)cc2)C1CO
InChIInChI=1S/C14H21NO2/c1-10-7-8-15(14(10)9-16)13-5-3-12(4-6-13)11(2)17/h3-6,10-11,14,16-17H,7-9H2,1-2H3/t10?,11-,14?/m1/s1
InChIKeyHOALIOYXPABZIF-IQLKVPPVSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds3

About (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol

(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol (PubChem CID 102782294) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
PubChem CID102782294
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
SMILESCC1CCN(c2ccc([C@@H](C)O)cc2)C1CO
InChIInChI=1S/C14H21NO2/c1-10-7-8-15(14(10)9-16)13-5-3-12(4-6-13)11(2)17/h3-6,10-11,14,16-17H,7-9H2,1-2H3/t10?,11-,14?/m1/s1
InChIKeyHOALIOYXPABZIF-IQLKVPPVSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol
CID 114066937
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 102782297
1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782260
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781685
(1S)-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-pyridinyl]ethanol
CID 102782329
(1R)-1-[5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 102782283
(1R)-1-[4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanol
CID 78940969
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 78939900
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 63371155
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol (CID 102782294) is (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol is CC1CCN(c2ccc([C@@H](C)O)cc2)C1CO.
What is the InChIKey of (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is HOALIOYXPABZIF-IQLKVPPVSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-8-15(14(10)9-16)13-5-3-12(4-6-13)11(2)17/h3-6,10-11,14,16-17H,7-9H2,1-2H3/t10?,11-,14?/m1/s1.
What are the key properties of (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol?
(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 102782294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).