1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine

C19H20F3NO — CID 86843098

IUPAC1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine
SMILESFc1ccc(C2(CNCc3cc(F)ccc3F)CCOCC2)cc1
InChIInChI=1S/C19H20F3NO/c20-16-3-1-15(2-4-16)19(7-9-24-10-8-19)13-23-12-14-11-17(21)5-6-18(14)22/h1-6,11,23H,7-10,12-13H2
InChIKeyAGUJWYJGEOEUSC-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.94
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine

1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine (PubChem CID 86843098) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine
PubChem CID86843098
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine
SMILESFc1ccc(C2(CNCc3cc(F)ccc3F)CCOCC2)cc1
InChIInChI=1S/C19H20F3NO/c20-16-3-1-15(2-4-16)19(7-9-24-10-8-19)13-23-12-14-11-17(21)5-6-18(14)22/h1-6,11,23H,7-10,12-13H2
InChIKeyAGUJWYJGEOEUSC-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine
CID 86843102
4-[[(2,5-difluorophenyl)methylamino]methyl]oxan-4-ol
CID 78928993
2-[(2,5-difluorophenyl)methyl]-1-ethyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]guanidine
CID 111902565
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,5-difluorophenyl)methanamine
CID 114757613
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 47629990
2-[(2,5-difluorophenyl)methyl]-1-ethyl-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111903023
4-[(2,5-difluorophenyl)methyl]oxan-4-amine
CID 63220413
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide
CID 86861805

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine (CID 86843098) is 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine is Fc1ccc(C2(CNCc3cc(F)ccc3F)CCOCC2)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine?
The InChIKey is AGUJWYJGEOEUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-16-3-1-15(2-4-16)19(7-9-24-10-8-19)13-23-12-14-11-17(21)5-6-18(14)22/h1-6,11,23H,7-10,12-13H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine?
1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine has a molecular weight of 335.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]methanamine is sourced from PubChem (CID 86843098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).