(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine

C21H27F2N3 — CID 97322165

IUPAC(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@H](N[C@H](C)c1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C21H27F2N3/c1-15(17-4-6-18(22)7-5-17)24-16(2)20-14-19(23)8-9-21(20)26-12-10-25(3)11-13-26/h4-9,14-16,24H,10-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyQQPPVMUGNIJHLJ-CVEARBPZSA-N
MW359.46 g/mol
LogP4.13
Rot. Bonds5

About (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 97322165) has the molecular formula C21H27F2N3 and a molecular weight of 359.46 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID97322165
Molecular FormulaC21H27F2N3
Molecular Weight359.46 g/mol
Exact Mass359.22
IUPAC Name(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@H](N[C@H](C)c1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C21H27F2N3/c1-15(17-4-6-18(22)7-5-17)24-16(2)20-14-19(23)8-9-21(20)26-12-10-25(3)11-13-26/h4-9,14-16,24H,10-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyQQPPVMUGNIJHLJ-CVEARBPZSA-N
XLogP4.13
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine 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

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-methylsulfonylpropan-2-amine
CID 136520496
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 97088185
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 51105766
(2R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylsulfanylpropanamide
CID 94818363
(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 78939384
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110922301
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-(1H-indol-4-ylmethyl)ethanamine
CID 119122892
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-6-methylpyridine-3-carboxamide
CID 95689792
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
(2S,4S)-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylpiperidine-4-carboxamide
CID 120635063
N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-(methylamino)butanamide
CID 119902788
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]pyridine-2-carboxamide
CID 94816152

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine (CID 97322165) is (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine is C[C@H](N[C@H](C)c1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1.
What is the InChIKey of (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is QQPPVMUGNIJHLJ-CVEARBPZSA-N. The full InChI is InChI=1S/C21H27F2N3/c1-15(17-4-6-18(22)7-5-17)24-16(2)20-14-19(23)8-9-21(20)26-12-10-25(3)11-13-26/h4-9,14-16,24H,10-13H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 359.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 97322165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).