[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol

C14H21NO3 — CID 40542884

IUPAC[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(CN2CCC[C@@H]2CO)cc1OC
InChIInChI=1S/C14H21NO3/c1-17-13-6-5-11(8-14(13)18-2)9-15-7-3-4-12(15)10-16/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyHXXMHGSSGPFTCS-GFCCVEGCSA-N
MW251.33 g/mol
LogP1.66
Rot. Bonds5

About [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 40542884) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID40542884
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(CN2CCC[C@@H]2CO)cc1OC
InChIInChI=1S/C14H21NO3/c1-17-13-6-5-11(8-14(13)18-2)9-15-7-3-4-12(15)10-16/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyHXXMHGSSGPFTCS-GFCCVEGCSA-N
XLogP1.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
5-[[2-(hydroxymethyl)azepan-1-yl]methyl]-2-methoxybenzonitrile
CID 116634766
[1-[(4-methoxy-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637425
[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol
CID 91315715
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115312882
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 97158896

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol (CID 40542884) is [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol is COc1ccc(CN2CCC[C@@H]2CO)cc1OC.
What is the InChIKey of [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is HXXMHGSSGPFTCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-6-5-11(8-14(13)18-2)9-15-7-3-4-12(15)10-16/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 40542884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).