[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol

C13H19NO2 — CID 121209485

IUPAC[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCOc1cccc(C2CC(CO)CN2C)c1
InChIInChI=1S/C13H19NO2/c1-14-8-10(9-15)6-13(14)11-4-3-5-12(7-11)16-2/h3-5,7,10,13,15H,6,8-9H2,1-2H3
InChIKeyLRKOVRPDELWYFR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.68
Rot. Bonds3

About [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol

[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 121209485) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID121209485
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCOc1cccc(C2CC(CO)CN2C)c1
InChIInChI=1S/C13H19NO2/c1-14-8-10(9-15)6-13(14)11-4-3-5-12(7-11)16-2/h3-5,7,10,13,15H,6,8-9H2,1-2H3
InChIKeyLRKOVRPDELWYFR-UHFFFAOYSA-N
XLogP1.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341070
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378
[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117341076
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
(3R,5S)-1-[[4-(hydroxymethyl)phenyl]methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100737617
(3R,5S)-1-(2-ethoxyethyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481356
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]ethane-1,2-diol
CID 117379648
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110293250
(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481403
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117374568

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol (CID 121209485) is [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol is COc1cccc(C2CC(CO)CN2C)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is LRKOVRPDELWYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-8-10(9-15)6-13(14)11-4-3-5-12(7-11)16-2/h3-5,7,10,13,15H,6,8-9H2,1-2H3.
What are the key properties of [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol?
[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 121209485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).