[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol

C17H28N2O2 — CID 70737753

IUPAC[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCOc1ccc(CN2C[C@@H](CN(C)C)[C@@H](CO)C2)c(C)c1
InChIInChI=1S/C17H28N2O2/c1-13-7-17(21-4)6-5-14(13)9-19-10-15(8-18(2)3)16(11-19)12-20/h5-7,15-16,20H,8-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyGAJCNPRMBNPMQU-HZPDHXFCSA-N
MW292.42 g/mol
LogP1.61
Rot. Bonds6

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

[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 70737753) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID70737753
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCOc1ccc(CN2C[C@@H](CN(C)C)[C@@H](CO)C2)c(C)c1
InChIInChI=1S/C17H28N2O2/c1-13-7-17(21-4)6-5-14(13)9-19-10-15(8-18(2)3)16(11-19)12-20/h5-7,15-16,20H,8-12H2,1-4H3/t15-,16-/m1/s1
InChIKeyGAJCNPRMBNPMQU-HZPDHXFCSA-N
XLogP1.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70741382
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 70704457
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70785359
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 70770529
[(3R,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70748852
[4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935432
[(3R,4R)-4-[(dimethylamino)methyl]-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 86283254
[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[(2,3,4-trifluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 70736956
(3R,4S)-3-hydroxy-1-[(4-methoxy-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 135118557
(1S,5R)-3-[(4-methoxy-2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid;2,2,2-trifluoroacetic acid
CID 154916228
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol (CID 70737753) is [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol is COc1ccc(CN2C[C@@H](CN(C)C)[C@@H](CO)C2)c(C)c1.
What is the InChIKey of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is GAJCNPRMBNPMQU-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-7-17(21-4)6-5-14(13)9-19-10-15(8-18(2)3)16(11-19)12-20/h5-7,15-16,20H,8-12H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 292.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70737753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).