(3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine

C23H27F2N3 — CID 142843058

IUPAC(3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CC[C@@H](N(C)CN2CC(c3cc(F)ccc3F)=CC2c2ccccc2)C1
InChIInChI=1S/C23H27F2N3/c1-26-11-10-20(15-26)27(2)16-28-14-18(21-13-19(24)8-9-22(21)25)12-23(28)17-6-4-3-5-7-17/h3-9,12-13,20,23H,10-11,14-16H2,1-2H3/t20-,23?/m1/s1
InChIKeyBPTQCZUWMXLZIJ-PPUHSXQSSA-N
MW383.49 g/mol
LogP4.00
Rot. Bonds5

About (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine

(3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine (PubChem CID 142843058) has the molecular formula C23H27F2N3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
PubChem CID142843058
Molecular FormulaC23H27F2N3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCN1CC[C@@H](N(C)CN2CC(c3cc(F)ccc3F)=CC2c2ccccc2)C1
InChIInChI=1S/C23H27F2N3/c1-26-11-10-20(15-26)27(2)16-28-14-18(21-13-19(24)8-9-22(21)25)12-23(28)17-6-4-3-5-7-17/h3-9,12-13,20,23H,10-11,14-16H2,1-2H3/t20-,23?/m1/s1
InChIKeyBPTQCZUWMXLZIJ-PPUHSXQSSA-N
XLogP4.00
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)-2-phenyl-2,5-dihydropyrrole
CID 58641378
3-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-ethylprop-1-en-2-amine
CID 142842990
2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-N-propan-2-ylacetamide
CID 58641402
1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3-piperazin-1-ylpropan-2-one
CID 69266113
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-1-hydroxybutan-2-one
CID 91593238
3-[4-(2,5-difluorophenyl)-1-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]-2,5-dihydropyrrol-2-yl]phenol
CID 142843052
(2S)-2-cyclopropyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]ethanone
CID 68897835
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide;1-methylpiperidine;hydrate
CID 143008201
4-(2,5-difluorophenyl)-1-methyl-2-phenyl-2,5-dihydropyrrole;N,2-dimethylpropan-1-amine;formaldehyde
CID 142843022
azane;2-cyclohexyl-1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
CID 68898628
4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole
CID 142843060
(2S)-2-cyclopropyl-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-2-(ethylamino)ethanone
CID 142842975

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine (CID 142843058) is (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine is CN1CC[C@@H](N(C)CN2CC(c3cc(F)ccc3F)=CC2c2ccccc2)C1.
What is the InChIKey of (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is BPTQCZUWMXLZIJ-PPUHSXQSSA-N. The full InChI is InChI=1S/C23H27F2N3/c1-26-11-10-20(15-26)27(2)16-28-14-18(21-13-19(24)8-9-22(21)25)12-23(28)17-6-4-3-5-7-17/h3-9,12-13,20,23H,10-11,14-16H2,1-2H3/t20-,23?/m1/s1.
What are the key properties of (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
(3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 383.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]methyl]-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 142843058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).