4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine

C20H23F4N3O — CID 156563791

IUPAC4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESFc1ccc(Nc2ccc(NCCCN3CCOCC3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F4N3O/c21-15-2-4-16(5-3-15)26-17-6-7-19(18(14-17)20(22,23)24)25-8-1-9-27-10-12-28-13-11-27/h2-7,14,25-26H,1,8-13H2
InChIKeyIGCWFPSHEGAAFS-UHFFFAOYSA-N
MW397.42 g/mol
LogP4.72
Rot. Bonds7

About 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine

4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 156563791) has the molecular formula C20H23F4N3O and a molecular weight of 397.42 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID156563791
Molecular FormulaC20H23F4N3O
Molecular Weight397.42 g/mol
Exact Mass397.18
IUPAC Name4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESFc1ccc(Nc2ccc(NCCCN3CCOCC3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H23F4N3O/c21-15-2-4-16(5-3-15)26-17-6-7-19(18(14-17)20(22,23)24)25-8-1-9-27-10-12-28-13-11-27/h2-7,14,25-26H,1,8-13H2
InChIKeyIGCWFPSHEGAAFS-UHFFFAOYSA-N
XLogP4.72
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 156564066
5-fluoro-2-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 63674197
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 79834479
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
2-chloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960814
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-2-N-(4-fluorophenyl)-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666697
[4-[(3-morpholin-4-ylpropylamino)methyl]-3-(trifluoromethyl)phenyl]urea
CID 151612984
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669181

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 156563791) is 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine is Fc1ccc(Nc2ccc(NCCCN3CCOCC3)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is IGCWFPSHEGAAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N3O/c21-15-2-4-16(5-3-15)26-17-6-7-19(18(14-17)20(22,23)24)25-8-1-9-27-10-12-28-13-11-27/h2-7,14,25-26H,1,8-13H2.
What are the key properties of 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 397.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 156563791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).