1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol

C14H21NO2 — CID 103728617

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCOc1ccc(C)cc1CN1CCC(C)(O)C1
InChIInChI=1S/C14H21NO2/c1-11-4-5-13(17-3)12(8-11)9-15-7-6-14(2,16)10-15/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyOXZPTRZNFNXYNV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol

1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 103728617) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID103728617
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCOc1ccc(C)cc1CN1CCC(C)(O)C1
InChIInChI=1S/C14H21NO2/c1-11-4-5-13(17-3)12(8-11)9-15-7-6-14(2,16)10-15/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyOXZPTRZNFNXYNV-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833057
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
1-ethyl-4-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 62161513
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 62154973
3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 55140625
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 63159605
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 115874121

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol (CID 103728617) is 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol is COc1ccc(C)cc1CN1CCC(C)(O)C1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is OXZPTRZNFNXYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-5-13(17-3)12(8-11)9-15-7-6-14(2,16)10-15/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol?
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103728617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).