4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine

C19H21ClF3N3O — CID 156564066

IUPAC4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESFC(F)(F)c1cc(Nc2ccc(Cl)cc2)ccc1NCCN1CCOCC1
InChIInChI=1S/C19H21ClF3N3O/c20-14-1-3-15(4-2-14)25-16-5-6-18(17(13-16)19(21,22)23)24-7-8-26-9-11-27-12-10-26/h1-6,13,24-25H,7-12H2
InChIKeyYRBXAFKUTHSLOQ-UHFFFAOYSA-N
MW399.84 g/mol
LogP4.85
Rot. Bonds6

About 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine

4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 156564066) has the molecular formula C19H21ClF3N3O and a molecular weight of 399.84 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID156564066
Molecular FormulaC19H21ClF3N3O
Molecular Weight399.84 g/mol
Exact Mass399.13
IUPAC Name4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESFC(F)(F)c1cc(Nc2ccc(Cl)cc2)ccc1NCCN1CCOCC1
InChIInChI=1S/C19H21ClF3N3O/c20-14-1-3-15(4-2-14)25-16-5-6-18(17(13-16)19(21,22)23)24-7-8-26-9-11-27-12-10-26/h1-6,13,24-25H,7-12H2
InChIKeyYRBXAFKUTHSLOQ-UHFFFAOYSA-N
XLogP4.85
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-fluorophenyl)-1-N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 156563791
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
2-N-(3,4-dichlorophenyl)-4-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 21080474
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981476
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717
1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
CID 28535952

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 156564066) is 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine is FC(F)(F)c1cc(Nc2ccc(Cl)cc2)ccc1NCCN1CCOCC1.
What is the InChIKey of 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is YRBXAFKUTHSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3O/c20-14-1-3-15(4-2-14)25-16-5-6-18(17(13-16)19(21,22)23)24-7-8-26-9-11-27-12-10-26/h1-6,13,24-25H,7-12H2.
What are the key properties of 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 399.84 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 156564066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).