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

C15H23FN2O — CID 70704457

IUPAC[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCN(C)C[C@@H]1CN(Cc2ccccc2F)C[C@@H]1CO
InChIInChI=1S/C15H23FN2O/c1-17(2)7-13-9-18(10-14(13)11-19)8-12-5-3-4-6-15(12)16/h3-6,13-14,19H,7-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyOGFAZNRGMDJBST-ZIAGYGMSSA-N
MW266.36 g/mol
LogP1.43
Rot. Bonds5

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

[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 70704457) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID70704457
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESCN(C)C[C@@H]1CN(Cc2ccccc2F)C[C@@H]1CO
InChIInChI=1S/C15H23FN2O/c1-17(2)7-13-9-18(10-14(13)11-19)8-12-5-3-4-6-15(12)16/h3-6,13-14,19H,7-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyOGFAZNRGMDJBST-ZIAGYGMSSA-N
XLogP1.43
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70741382
3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine
CID 166944800
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70785359
[(3R,4R)-4-[[ethyl(methyl)amino]methyl]-1-[(2,3,4-trifluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 70736956
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-methoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70737753
5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 66051669
[(3R,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70748852
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
1-[(3R,4R)-3-[[ethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 72883432
(3R,4R)-1-[(2-fluorophenyl)methyl]-4-methoxypyrrolidin-3-ol
CID 126793647
1-[4-[(3S,4S)-1-[(2,3-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 91921242
2-[[(3R,4R)-1-[(2,4-dichlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 70766428

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 70704457) is [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is CN(C)C[C@@H]1CN(Cc2ccccc2F)C[C@@H]1CO.
What is the InChIKey of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is OGFAZNRGMDJBST-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-17(2)7-13-9-18(10-14(13)11-19)8-12-5-3-4-6-15(12)16/h3-6,13-14,19H,7-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 266.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70704457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).