N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C17H17BrF3N3O — CID 133385182

IUPACN-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccc(Br)cc2N2CCOCC2)c1
InChIInChI=1S/C17H17BrF3N3O/c18-14-2-1-12(15(10-14)24-5-7-25-8-6-24)11-23-16-9-13(3-4-22-16)17(19,20)21/h1-4,9-10H,5-8,11H2,(H,22,23)
InChIKeyFIDYGQGKXAJNOC-UHFFFAOYSA-N
MW416.24 g/mol
LogP4.31
Rot. Bonds4

About N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 133385182) has the molecular formula C17H17BrF3N3O and a molecular weight of 416.24 g/mol. Its IUPAC name is N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID133385182
Molecular FormulaC17H17BrF3N3O
Molecular Weight416.24 g/mol
Exact Mass415.05
IUPAC NameN-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccc(Br)cc2N2CCOCC2)c1
InChIInChI=1S/C17H17BrF3N3O/c18-14-2-1-12(15(10-14)24-5-7-25-8-6-24)11-23-16-9-13(3-4-22-16)17(19,20)21/h1-4,9-10H,5-8,11H2,(H,22,23)
InChIKeyFIDYGQGKXAJNOC-UHFFFAOYSA-N
XLogP4.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 133385160
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
N-[[4-bromo-2-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 55153715
6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 133385131
2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489196
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
N-[[2-(azepan-1-yl)-4-bromophenyl]methyl]-2-methylpropan-2-amine
CID 63566560
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 79839410
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124
2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 133297396
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489159
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 133385182) is N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NCc2ccc(Br)cc2N2CCOCC2)c1.
What is the InChIKey of N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FIDYGQGKXAJNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF3N3O/c18-14-2-1-12(15(10-14)24-5-7-25-8-6-24)11-23-16-9-13(3-4-22-16)17(19,20)21/h1-4,9-10H,5-8,11H2,(H,22,23).
What are the key properties of N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 416.24 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133385182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).