1-(5-tert-butyl-2-fluorophenyl)ethanamine

C12H18FN — CID 83988556

IUPAC1-(5-tert-butyl-2-fluorophenyl)ethanamine
SMILESCC(N)c1cc(C(C)(C)C)ccc1F
InChIInChI=1S/C12H18FN/c1-8(14)10-7-9(12(2,3)4)5-6-11(10)13/h5-8H,14H2,1-4H3
InChIKeyJUPUDGFRFSRFIJ-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.14
Rot. Bonds1

About 1-(5-tert-butyl-2-fluorophenyl)ethanamine

1-(5-tert-butyl-2-fluorophenyl)ethanamine (PubChem CID 83988556) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-fluorophenyl)ethanamine
PubChem CID83988556
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(5-tert-butyl-2-fluorophenyl)ethanamine
SMILESCC(N)c1cc(C(C)(C)C)ccc1F
InChIInChI=1S/C12H18FN/c1-8(14)10-7-9(12(2,3)4)5-6-11(10)13/h5-8H,14H2,1-4H3
InChIKeyJUPUDGFRFSRFIJ-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 84671373
2-[(1S)-1-aminoethyl]-4-tert-butylaniline
CID 130769790
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
[3-(1-aminoethyl)-4-fluorophenyl]methanol
CID 55283216
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine
CID 117309170

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-tert-butyl-2-fluorophenyl)ethanamine (CID 83988556) is 1-(5-tert-butyl-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-tert-butyl-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-tert-butyl-2-fluorophenyl)ethanamine is CC(N)c1cc(C(C)(C)C)ccc1F.
What is the InChIKey of 1-(5-tert-butyl-2-fluorophenyl)ethanamine?
The InChIKey is JUPUDGFRFSRFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-8(14)10-7-9(12(2,3)4)5-6-11(10)13/h5-8H,14H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-fluorophenyl)ethanamine?
1-(5-tert-butyl-2-fluorophenyl)ethanamine has a molecular weight of 195.28 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-fluorophenyl)ethanamine is sourced from PubChem (CID 83988556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).