[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C14H21NO2 — CID 102788535

IUPAC[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1cccc(CN2CCC(C)C2CO)c1
InChIInChI=1S/C14H21NO2/c1-11-6-7-15(14(11)10-16)9-12-4-3-5-13(8-12)17-2/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3
InChIKeyPELDRTYTDDRCQS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds4

About [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788535) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788535
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1cccc(CN2CCC(C)C2CO)c1
InChIInChI=1S/C14H21NO2/c1-11-6-7-15(14(11)10-16)9-12-4-3-5-13(8-12)17-2/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3
InChIKeyPELDRTYTDDRCQS-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787791
N-ethyl-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpiperidin-4-amine
CID 79396800
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
4-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114431427
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
tert-butyl (2S)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 80997744

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102788535) is [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is COc1cccc(CN2CCC(C)C2CO)c1.
What is the InChIKey of [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is PELDRTYTDDRCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-6-7-15(14(11)10-16)9-12-4-3-5-13(8-12)17-2/h3-5,8,11,14,16H,6-7,9-10H2,1-2H3.
What are the key properties of [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).