[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol

C13H20N2O2 — CID 70140500

IUPAC[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(N)cc1CN1CCC[C@@H]1CO
InChIInChI=1S/C13H20N2O2/c1-17-13-5-4-11(14)7-10(13)8-15-6-2-3-12(15)9-16/h4-5,7,12,16H,2-3,6,8-9,14H2,1H3/t12-/m1/s1
InChIKeyOGRUJTYNVPFZQX-GFCCVEGCSA-N
MW236.31 g/mol
LogP1.23
Rot. Bonds4

About [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 70140500) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID70140500
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(N)cc1CN1CCC[C@@H]1CO
InChIInChI=1S/C13H20N2O2/c1-17-13-5-4-11(14)7-10(13)8-15-6-2-3-12(15)9-16/h4-5,7,12,16H,2-3,6,8-9,14H2,1H3/t12-/m1/s1
InChIKeyOGRUJTYNVPFZQX-GFCCVEGCSA-N
XLogP1.23
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
4-methoxy-3-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575610
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-methoxyaniline
CID 107208396
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966
4-methoxy-3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]aniline
CID 79941103
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(bromomethyl)pyrrolidine
CID 80668876
3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468345

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol (CID 70140500) is [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol is COc1ccc(N)cc1CN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is OGRUJTYNVPFZQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-13-5-4-11(14)7-10(13)8-15-6-2-3-12(15)9-16/h4-5,7,12,16H,2-3,6,8-9,14H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 70140500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).