N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine

C15H22FNO — CID 126546049

IUPACN-(5-tert-butyl-2-fluorophenyl)oxan-4-amine
SMILESCC(C)(C)c1ccc(F)c(NC2CCOCC2)c1
InChIInChI=1S/C15H22FNO/c1-15(2,3)11-4-5-13(16)14(10-11)17-12-6-8-18-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeyIYQVLBPGEINCEN-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.71
Rot. Bonds2

About N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine

N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine (PubChem CID 126546049) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-2-fluorophenyl)oxan-4-amine
PubChem CID126546049
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-(5-tert-butyl-2-fluorophenyl)oxan-4-amine
SMILESCC(C)(C)c1ccc(F)c(NC2CCOCC2)c1
InChIInChI=1S/C15H22FNO/c1-15(2,3)11-4-5-13(16)14(10-11)17-12-6-8-18-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3
InChIKeyIYQVLBPGEINCEN-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]aniline
CID 53387230
Icmt-IN-39
CID 53387232
Icmt-IN-42
CID 53387390
Icmt-IN-43
CID 53387391
Icmt-IN-44
CID 53387392
Icmt-IN-46
CID 53387394
Icmt-IN-51
CID 53387878
Icmt-IN-52
CID 53387879
Icmt-IN-2
CID 53387880
Icmt-IN-5
CID 53387881
Icmt-IN-17
CID 53388038
(R)-1-(3-Morpholin-4-YL-phenyl)-ethylamine
CID 42551788

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine?
The IUPAC name of N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine (CID 126546049) is N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine.
What is the SMILES notation for N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine?
The canonical SMILES for N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine is CC(C)(C)c1ccc(F)c(NC2CCOCC2)c1.
What is the InChIKey of N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine?
The InChIKey is IYQVLBPGEINCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-15(2,3)11-4-5-13(16)14(10-11)17-12-6-8-18-9-7-12/h4-5,10,12,17H,6-9H2,1-3H3.
What are the key properties of N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine?
N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine has a molecular weight of 251.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-fluorophenyl)oxan-4-amine is sourced from PubChem (CID 126546049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).