N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine

C17H18F3N3O — CID 58366782

IUPACN-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(NCc2ccccc2)nc(N2CCOCC2)c1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)14-10-15(21-12-13-4-2-1-3-5-13)22-16(11-14)23-6-8-24-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,22)
InChIKeyIEYJLWAWPGZWED-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.55
Rot. Bonds4

About N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine

N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 58366782) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID58366782
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(NCc2ccccc2)nc(N2CCOCC2)c1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)14-10-15(21-12-13-4-2-1-3-5-13)22-16(11-14)23-6-8-24-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,22)
InChIKeyIEYJLWAWPGZWED-UHFFFAOYSA-N
XLogP3.55
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
CID 137530122
4-(2-Phenyl-6-trifluoromethyl-pyrimidin-4-yl)-morpholine
CID 796071
6-methyl-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 1868950
4-(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholine
CID 25070911
N4-(2-morpholinoethyl)-N6-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine
CID 44194780
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249
N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 721057
4-(4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl)morpholine
CID 891729
4-[5-(2,3-Difluorophenyl)-2-pyridinyl]morpholine
CID 45486216

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine (CID 58366782) is N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(NCc2ccccc2)nc(N2CCOCC2)c1.
What is the InChIKey of N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IEYJLWAWPGZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)14-10-15(21-12-13-4-2-1-3-5-13)22-16(11-14)23-6-8-24-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,22).
What are the key properties of N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine?
N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 337.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 58366782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).