4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol

C13H19NO2 — CID 115032711

IUPAC4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCOc1ccccc1CC1CNCC1(C)O
InChIInChI=1S/C13H19NO2/c1-13(15)9-14-8-11(13)7-10-5-3-4-6-12(10)16-2/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeyCAICZAVLXREPEI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.21
Rot. Bonds3

About 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol

4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 115032711) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID115032711
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCOc1ccccc1CC1CNCC1(C)O
InChIInChI=1S/C13H19NO2/c1-13(15)9-14-8-11(13)7-10-5-3-4-6-12(10)16-2/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeyCAICZAVLXREPEI-UHFFFAOYSA-N
XLogP1.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
4-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
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1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
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N-(azetidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 66188008
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
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(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine
CID 129411572
2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014088
(2S)-4-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 70543840
4-methoxy-2-[2-(2-methoxyphenyl)ethyl]-1-methylcyclohexan-1-ol
CID 24973162
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
(2-(111C)methoxyphenyl)methanol
CID 59897789

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol (CID 115032711) is 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol is COc1ccccc1CC1CNCC1(C)O.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is CAICZAVLXREPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(15)9-14-8-11(13)7-10-5-3-4-6-12(10)16-2/h3-6,11,14-15H,7-9H2,1-2H3.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol?
4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 115032711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).