2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine

C18H22FN — CID 115918107

IUPAC2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
SMILESCC(C)(C)c1ccc(C(F)(CN)c2ccccc2)cc1
InChIInChI=1S/C18H22FN/c1-17(2,3)14-9-11-16(12-10-14)18(19,13-20)15-7-5-4-6-8-15/h4-12H,13,20H2,1-3H3
InChIKeyZLFSRNDXMGWQRP-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.16
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine

2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine (PubChem CID 115918107) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
PubChem CID115918107
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
SMILESCC(C)(C)c1ccc(C(F)(CN)c2ccccc2)cc1
InChIInChI=1S/C18H22FN/c1-17(2,3)14-9-11-16(12-10-14)18(19,13-20)15-7-5-4-6-8-15/h4-12H,13,20H2,1-3H3
InChIKeyZLFSRNDXMGWQRP-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108
tert-butylbenzene;chloromethane;ethane
CID 91149652
2-(4-chloro-3-methoxyphenyl)-2-fluoro-2-phenylethanamine
CID 112566367
1,1-difluoroethylbenzene
CID 10942535
1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-phenylethyl]benzene
CID 20557378
CID 171375456
CID 171375456
2-(2,3-dimethylphenyl)-2-fluoro-2-phenylethanamine
CID 112566318
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine
CID 112566344

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine (CID 115918107) is 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine is CC(C)(C)c1ccc(C(F)(CN)c2ccccc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine?
The InChIKey is ZLFSRNDXMGWQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-17(2,3)14-9-11-16(12-10-14)18(19,13-20)15-7-5-4-6-8-15/h4-12H,13,20H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine?
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine is sourced from PubChem (CID 115918107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).