[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol

C13H19NO2 — CID 64865830

IUPAC[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol
SMILESCOCc1ccccc1N1CCC(CO)C1
InChIInChI=1S/C13H19NO2/c1-16-10-12-4-2-3-5-13(12)14-7-6-11(8-14)9-15/h2-5,11,15H,6-10H2,1H3
InChIKeyGEQGSKOQUWNBBN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds4

About [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol

[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol (PubChem CID 64865830) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol
PubChem CID64865830
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol
SMILESCOCc1ccccc1N1CCC(CO)C1
InChIInChI=1S/C13H19NO2/c1-16-10-12-4-2-3-5-13(12)14-7-6-11(8-14)9-15/h2-5,11,15H,6-10H2,1H3
InChIKeyGEQGSKOQUWNBBN-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
[1-[2-(dimethylamino)phenyl]pyrrolidin-3-yl]methanol
CID 106760827
1-[2-(methoxymethyl)phenyl]-3-methylpiperazine
CID 64925935
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
[1-(2-phenoxyphenyl)pyrrolidin-3-yl]methanol
CID 64865616
3-cyclopropyl-1-[2-(methoxymethyl)phenyl]piperazine
CID 64926120
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanol
CID 79044202
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
3-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 170887594

Frequently Asked Questions

What is the IUPAC name of [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol (CID 64865830) is [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol is COCc1ccccc1N1CCC(CO)C1.
What is the InChIKey of [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol?
The InChIKey is GEQGSKOQUWNBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-10-12-4-2-3-5-13(12)14-7-6-11(8-14)9-15/h2-5,11,15H,6-10H2,1H3.
What are the key properties of [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol?
[1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methoxymethyl)phenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64865830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).