[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol

C15H23NO3 — CID 62371929

IUPAC[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCOc1cc(C)c(CN2CCC(CO)C2)cc1OC
InChIInChI=1S/C15H23NO3/c1-11-6-14(18-2)15(19-3)7-13(11)9-16-5-4-12(8-16)10-17/h6-7,12,17H,4-5,8-10H2,1-3H3
InChIKeyOBGRDPBVUISBNG-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.83
Rot. Bonds5

About [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol

[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 62371929) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID62371929
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCOc1cc(C)c(CN2CCC(CO)C2)cc1OC
InChIInChI=1S/C15H23NO3/c1-11-6-14(18-2)15(19-3)7-13(11)9-16-5-4-12(8-16)10-17/h6-7,12,17H,4-5,8-10H2,1-3H3
InChIKeyOBGRDPBVUISBNG-UHFFFAOYSA-N
XLogP1.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
1-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967858
[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol
CID 111442612
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
CID 2846019
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
[1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 43818111
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
(3aR,6aS)-2-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
CID 166273181
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol (CID 62371929) is [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol is COc1cc(C)c(CN2CCC(CO)C2)cc1OC.
What is the InChIKey of [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is OBGRDPBVUISBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-6-14(18-2)15(19-3)7-13(11)9-16-5-4-12(8-16)10-17/h6-7,12,17H,4-5,8-10H2,1-3H3.
What are the key properties of [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 265.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62371929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).