1-(2-tert-butyl-3-fluorophenyl)ethenamine

C12H16FN — CID 121406130

IUPAC1-(2-tert-butyl-3-fluorophenyl)ethenamine
SMILESC=C(N)c1cccc(F)c1C(C)(C)C
InChIInChI=1S/C12H16FN/c1-8(14)9-6-5-7-10(13)11(9)12(2,3)4/h5-7H,1,14H2,2-4H3
InChIKeyUNRFMTQNQLQXQU-UHFFFAOYSA-N
MW193.26 g/mol
LogP3.05
Rot. Bonds1

About 1-(2-tert-butyl-3-fluorophenyl)ethenamine

1-(2-tert-butyl-3-fluorophenyl)ethenamine (PubChem CID 121406130) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 1-(2-tert-butyl-3-fluorophenyl)ethenamine.

Molecular Properties

Compound Name1-(2-tert-butyl-3-fluorophenyl)ethenamine
PubChem CID121406130
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name1-(2-tert-butyl-3-fluorophenyl)ethenamine
SMILESC=C(N)c1cccc(F)c1C(C)(C)C
InChIInChI=1S/C12H16FN/c1-8(14)9-6-5-7-10(13)11(9)12(2,3)4/h5-7H,1,14H2,2-4H3
InChIKeyUNRFMTQNQLQXQU-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-3-fluorobenzamide
CID 118328410
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CID 168724784
1-but-1-en-2-yl-3-fluoro-2-(2,3,3-trimethylbutan-2-yl)benzene
CID 146429724
1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
CID 168948597
3-fluoro-2-(trifluoromethyl)benzamide
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(2-tert-butyl-3-fluorophenoxy)-dihydroxy-methylidene-λ5-phosphane
CID 122606424
2-tert-butyl-1-fluoro-3-(2-methylprop-1-enyl)benzene
CID 168724757
(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine
CID 170017589
3-fluoro-N-methyl-2-(trifluoromethyl)benzohydrazide
CID 178112374
1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine
CID 68737589
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
2-tert-butylbenzene-1,3-dicarboperoxoic acid
CID 23043490

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-3-fluorophenyl)ethenamine?
The IUPAC name of 1-(2-tert-butyl-3-fluorophenyl)ethenamine (CID 121406130) is 1-(2-tert-butyl-3-fluorophenyl)ethenamine.
What is the SMILES notation for 1-(2-tert-butyl-3-fluorophenyl)ethenamine?
The canonical SMILES for 1-(2-tert-butyl-3-fluorophenyl)ethenamine is C=C(N)c1cccc(F)c1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-3-fluorophenyl)ethenamine?
The InChIKey is UNRFMTQNQLQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8(14)9-6-5-7-10(13)11(9)12(2,3)4/h5-7H,1,14H2,2-4H3.
What are the key properties of 1-(2-tert-butyl-3-fluorophenyl)ethenamine?
1-(2-tert-butyl-3-fluorophenyl)ethenamine has a molecular weight of 193.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-3-fluorophenyl)ethenamine is sourced from PubChem (CID 121406130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).