N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine

C18H22FNS — CID 79343805

IUPACN-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2ccccc2F)s1)CNC(C)(C)C
InChIInChI=1S/C18H22FNS/c1-13(12-20-18(2,3)4)11-14-9-10-17(21-14)15-7-5-6-8-16(15)19/h5-11,20H,12H2,1-4H3
InChIKeyVOOIVJMHLOTBFI-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.35
Rot. Bonds4

About N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine

N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine (PubChem CID 79343805) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
PubChem CID79343805
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC NameN-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2ccccc2F)s1)CNC(C)(C)C
InChIInChI=1S/C18H22FNS/c1-13(12-20-18(2,3)4)11-14-9-10-17(21-14)15-7-5-6-8-16(15)19/h5-11,20H,12H2,1-4H3
InChIKeyVOOIVJMHLOTBFI-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine (CID 79343805) is N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine is CC(=Cc1ccc(-c2ccccc2F)s1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine?
The InChIKey is VOOIVJMHLOTBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-13(12-20-18(2,3)4)11-14-9-10-17(21-14)15-7-5-6-8-16(15)19/h5-11,20H,12H2,1-4H3.
What are the key properties of N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine?
N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine has a molecular weight of 303.45 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79343805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).