[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol

C14H21NO2 — CID 114054518

IUPAC[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1ccc(N2CCC(C)C2CO)c(CO)c1
InChIInChI=1S/C14H21NO2/c1-10-3-4-13(12(7-10)8-16)15-6-5-11(2)14(15)9-17/h3-4,7,11,14,16-17H,5-6,8-9H2,1-2H3
InChIKeyLMRGMVRUBGZPBR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds3

About [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 114054518) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID114054518
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCc1ccc(N2CCC(C)C2CO)c(CO)c1
InChIInChI=1S/C14H21NO2/c1-10-3-4-13(12(7-10)8-16)15-6-5-11(2)14(15)9-17/h3-4,7,11,14,16-17H,5-6,8-9H2,1-2H3
InChIKeyLMRGMVRUBGZPBR-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methylbenzonitrile
CID 107927925
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
[5-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methanol
CID 114054514
[1-[4-(hydroxymethyl)-3-pyridinyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787683
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
[1-[4-chloro-2-(propylaminomethyl)phenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782620
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
1-[3-bromo-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781698
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylphenyl]methanol
CID 114054503
[3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 102782606

Frequently Asked Questions

What is the IUPAC name of [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol (CID 114054518) is [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol is Cc1ccc(N2CCC(C)C2CO)c(CO)c1.
What is the InChIKey of [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is LMRGMVRUBGZPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-4-13(12(7-10)8-16)15-6-5-11(2)14(15)9-17/h3-4,7,11,14,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 114054518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).