3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

C18H17ClF4N2O — CID 60570273

IUPAC3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFc1cccc(C2(CNc3ncc(C(F)(F)F)cc3Cl)CCOCC2)c1
InChIInChI=1S/C18H17ClF4N2O/c19-15-9-13(18(21,22)23)10-24-16(15)25-11-17(4-6-26-7-5-17)12-2-1-3-14(20)8-12/h1-3,8-10H,4-7,11H2,(H,24,25)
InChIKeyFQCLZDSHGAQXDC-UHFFFAOYSA-N
MW388.79 g/mol
LogP5.05
Rot. Bonds4

About 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60570273) has the molecular formula C18H17ClF4N2O and a molecular weight of 388.79 g/mol. Its IUPAC name is 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60570273
Molecular FormulaC18H17ClF4N2O
Molecular Weight388.79 g/mol
Exact Mass388.10
IUPAC Name3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFc1cccc(C2(CNc3ncc(C(F)(F)F)cc3Cl)CCOCC2)c1
InChIInChI=1S/C18H17ClF4N2O/c19-15-9-13(18(21,22)23)10-24-16(15)25-11-17(4-6-26-7-5-17)12-2-1-3-14(20)8-12/h1-3,8-10H,4-7,11H2,(H,24,25)
InChIKeyFQCLZDSHGAQXDC-UHFFFAOYSA-N
XLogP5.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.79
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000508
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 47983986
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 60570237
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 52739663
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111267316
5-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzenesulfonamide
CID 86879570
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 60570273) is 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is Fc1cccc(C2(CNc3ncc(C(F)(F)F)cc3Cl)CCOCC2)c1.
What is the InChIKey of 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FQCLZDSHGAQXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF4N2O/c19-15-9-13(18(21,22)23)10-24-16(15)25-11-17(4-6-26-7-5-17)12-2-1-3-14(20)8-12/h1-3,8-10H,4-7,11H2,(H,24,25).
What are the key properties of 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 388.79 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60570273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).