(4-tert-butyl-3-(18F)fluorophenyl)methanamine

C11H16FN — CID 59678658

IUPAC(4-tert-butyl-3-(18F)fluorophenyl)methanamine
SMILESCC(C)(C)c1ccc(CN)cc1[18F]
InChIInChI=1S/C11H16FN/c1-11(2,3)9-5-4-8(7-13)6-10(9)12/h4-6H,7,13H2,1-3H3/i12-1
InChIKeyWHIQVXABQRCNSS-DWSYCVKZSA-N
MW180.26 g/mol
LogP2.58
Rot. Bonds1

About (4-tert-butyl-3-(18F)fluorophenyl)methanamine

(4-tert-butyl-3-(18F)fluorophenyl)methanamine (PubChem CID 59678658) has the molecular formula C11H16FN and a molecular weight of 180.26 g/mol. Its IUPAC name is (4-tert-butyl-3-(18F)fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-3-(18F)fluorophenyl)methanamine
PubChem CID59678658
Molecular FormulaC11H16FN
Molecular Weight180.26 g/mol
Exact Mass180.13
IUPAC Name(4-tert-butyl-3-(18F)fluorophenyl)methanamine
SMILESCC(C)(C)c1ccc(CN)cc1[18F]
InChIInChI=1S/C11H16FN/c1-11(2,3)9-5-4-8(7-13)6-10(9)12/h4-6H,7,13H2,1-3H3/i12-1
InChIKeyWHIQVXABQRCNSS-DWSYCVKZSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-tert-butyl-4-methylphenyl)methanamine
CID 59108911
(4-tert-butyl-3-methoxyphenyl)methanamine
CID 82669944
N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
CID 158055117
2-amino-3-(4-tert-butyl-3-fluorophenyl)propanoic acid
CID 84799729
1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
CID 155445804
[4-(tert-butylsulfonylmethyl)-3-fluorophenyl]methanamine
CID 64696756
(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705
1-tert-butyl-2-fluoro-4-(3-methylpentan-3-yl)benzene
CID 126704074
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 170915483
1-[(4-tert-butyl-3-fluorophenyl)methyl]pyridin-2-one
CID 176700827
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
CID 58671884

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3-(18F)fluorophenyl)methanamine?
The IUPAC name of (4-tert-butyl-3-(18F)fluorophenyl)methanamine (CID 59678658) is (4-tert-butyl-3-(18F)fluorophenyl)methanamine.
What is the SMILES notation for (4-tert-butyl-3-(18F)fluorophenyl)methanamine?
The canonical SMILES for (4-tert-butyl-3-(18F)fluorophenyl)methanamine is CC(C)(C)c1ccc(CN)cc1[18F].
What is the InChIKey of (4-tert-butyl-3-(18F)fluorophenyl)methanamine?
The InChIKey is WHIQVXABQRCNSS-DWSYCVKZSA-N. The full InChI is InChI=1S/C11H16FN/c1-11(2,3)9-5-4-8(7-13)6-10(9)12/h4-6H,7,13H2,1-3H3/i12-1.
What are the key properties of (4-tert-butyl-3-(18F)fluorophenyl)methanamine?
(4-tert-butyl-3-(18F)fluorophenyl)methanamine has a molecular weight of 180.26 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3-(18F)fluorophenyl)methanamine is sourced from PubChem (CID 59678658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).