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

C14H21NO2 — CID 55140625

IUPAC3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
SMILESCOc1ccc(C)cc1CC1(O)CCN(C)C1
InChIInChI=1S/C14H21NO2/c1-11-4-5-13(17-3)12(8-11)9-14(16)6-7-15(2)10-14/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyXDMVLFQILKFJPJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds3

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

3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 55140625) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
PubChem CID55140625
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
SMILESCOc1ccc(C)cc1CC1(O)CCN(C)C1
InChIInChI=1S/C14H21NO2/c1-11-4-5-13(17-3)12(8-11)9-14(16)6-7-15(2)10-14/h4-5,8,16H,6-7,9-10H2,1-3H3
InChIKeyXDMVLFQILKFJPJ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65147101
1-ethyl-4-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 62161513
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
1-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736144
4-tert-butyl-1-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 63406908
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617
1-[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 125004805
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
3-[(1-hydroxycyclopropyl)methyl]-4-methoxyphenol
CID 117284575
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
4-(aminomethyl)-1-(2-methoxy-5-methylphenyl)piperidin-4-ol
CID 82297536

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol (CID 55140625) is 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol is COc1ccc(C)cc1CC1(O)CCN(C)C1.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is XDMVLFQILKFJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-5-13(17-3)12(8-11)9-14(16)6-7-15(2)10-14/h4-5,8,16H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol?
3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 55140625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).