(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol

C13H19NO2 — CID 64866825

IUPAC(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
SMILESCOc1ccc(C)cc1C(O)C1CCCN1
InChIInChI=1S/C13H19NO2/c1-9-5-6-12(16-2)10(8-9)13(15)11-4-3-7-14-11/h5-6,8,11,13-15H,3-4,7H2,1-2H3
InChIKeyACRXLYJEYFNBLV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.79
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol

(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol (PubChem CID 64866825) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
PubChem CID64866825
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
SMILESCOc1ccc(C)cc1C(O)C1CCCN1
InChIInChI=1S/C13H19NO2/c1-9-5-6-12(16-2)10(8-9)13(15)11-4-3-7-14-11/h5-6,8,11,13-15H,3-4,7H2,1-2H3
InChIKeyACRXLYJEYFNBLV-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661
2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine
CID 106640209
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 103459031
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
2-[1-(2-methoxy-5-methylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606918
(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82283349
(S)-(3,5-dimethoxyphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 135313109
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol (CID 64866825) is (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol is COc1ccc(C)cc1C(O)C1CCCN1.
What is the InChIKey of (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol?
The InChIKey is ACRXLYJEYFNBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-6-12(16-2)10(8-9)13(15)11-4-3-7-14-11/h5-6,8,11,13-15H,3-4,7H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol?
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol has a molecular weight of 221.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 64866825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).