1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine

C19H21F3N2O — CID 75405292

IUPAC1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine
SMILESFC(F)(F)c1cccc(C2(CNCc3ccncc3)CCOCC2)c1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-3-1-2-16(12-17)18(6-10-25-11-7-18)14-24-13-15-4-8-23-9-5-15/h1-5,8-9,12,24H,6-7,10-11,13-14H2
InChIKeyHSIDBJNAIKKBKB-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.94
Rot. Bonds5

About 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine

1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine (PubChem CID 75405292) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine
PubChem CID75405292
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine
SMILESFC(F)(F)c1cccc(C2(CNCc3ccncc3)CCOCC2)c1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-3-1-2-16(12-17)18(6-10-25-11-7-18)14-24-13-15-4-8-23-9-5-15/h1-5,8-9,12,24H,6-7,10-11,13-14H2
InChIKeyHSIDBJNAIKKBKB-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-pyridin-4-ylmethanamine
CID 119107255
1-benzyl-2-methyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine;hydroiodide
CID 110952419
1-(1H-imidazol-2-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
CID 119126089
2-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000508
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
2-methyl-1-propyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 111225219
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 71886504
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 111606815
4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
CID 120590246
N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 126780903
1-cyclopropyl-2-methyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 110934549

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine?
The IUPAC name of 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine (CID 75405292) is 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine?
The canonical SMILES for 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine is FC(F)(F)c1cccc(C2(CNCc3ccncc3)CCOCC2)c1.
What is the InChIKey of 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine?
The InChIKey is HSIDBJNAIKKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)17-3-1-2-16(12-17)18(6-10-25-11-7-18)14-24-13-15-4-8-23-9-5-15/h1-5,8-9,12,24H,6-7,10-11,13-14H2.
What are the key properties of 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine?
1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine has a molecular weight of 350.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]methanamine is sourced from PubChem (CID 75405292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).