[3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid

C24H29F4N3O6S — CID 170425816

IUPAC[3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1cccc(OCC2CC(c3ccc(F)cc3)CN2S(=O)(=O)N2CCOCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H28FN3O4S.C2HF3O2/c23-20-6-4-18(5-7-20)19-13-21(16-30-22-3-1-2-17(12-22)14-24)26(15-19)31(27,28)25-8-10-29-11-9-25;3-2(4,5)1(6)7/h1-7,12,19,21H,8-11,13-16,24H2;(H,6,7)
InChIKeyOBPTZWNAHBSUFF-UHFFFAOYSA-N
MW563.57 g/mol
LogP2.73
Rot. Bonds7

About [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid

[3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 170425816) has the molecular formula C24H29F4N3O6S and a molecular weight of 563.57 g/mol. Its IUPAC name is [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID170425816
Molecular FormulaC24H29F4N3O6S
Molecular Weight563.57 g/mol
Exact Mass563.17
IUPAC Name[3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1cccc(OCC2CC(c3ccc(F)cc3)CN2S(=O)(=O)N2CCOCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H28FN3O4S.C2HF3O2/c23-20-6-4-18(5-7-20)19-13-21(16-30-22-3-1-2-17(12-22)14-24)26(15-19)31(27,28)25-8-10-29-11-9-25;3-2(4,5)1(6)7/h1-7,12,19,21H,8-11,13-16,24H2;(H,6,7)
InChIKeyOBPTZWNAHBSUFF-UHFFFAOYSA-N
XLogP2.73
TPSA122.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.57
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-(2-fluorophenyl)pyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine;[2-[[1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-(4-fluorophenyl)pyrrolidin-2-yl]methoxy]-4-pyridinyl]methanamine
CID 170159456
(2R)-1-[4-(4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-4-morpholin-4-ylsulfonylpiperazine-2-carboxamide
CID 18727150
[3-[3-(oxan-4-ylsulfonyl)propoxy]phenyl]methanamine
CID 64696420
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
[3-(2-methyl-3-morpholin-4-ylpropoxy)phenyl]methanamine
CID 82037292
(3R,4R)-4-(3-fluorophenoxy)-1-morpholin-4-ylsulfonylpyrrolidin-3-ol
CID 110147172
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
3-[[(3S)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]methyl]benzoic acid
CID 95710589
3-[(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methyl]benzoic acid
CID 56886483
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 55712353

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid (CID 170425816) is [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid is NCc1cccc(OCC2CC(c3ccc(F)cc3)CN2S(=O)(=O)N2CCOCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is OBPTZWNAHBSUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O4S.C2HF3O2/c23-20-6-4-18(5-7-20)19-13-21(16-30-22-3-1-2-17(12-22)14-24)26(15-19)31(27,28)25-8-10-29-11-9-25;3-2(4,5)1(6)7/h1-7,12,19,21H,8-11,13-16,24H2;(H,6,7).
What are the key properties of [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid?
[3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 563.57 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4-fluorophenyl)-1-morpholin-4-ylsulfonylpyrrolidin-2-yl]methoxy]phenyl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170425816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).