3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine

C18H22BrNS — CID 79343820

IUPAC3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2ccc(Br)cc2)s1)CNC(C)(C)C
InChIInChI=1S/C18H22BrNS/c1-13(12-20-18(2,3)4)11-16-9-10-17(21-16)14-5-7-15(19)8-6-14/h5-11,20H,12H2,1-4H3
InChIKeyUDWBBUOQFOXEBK-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.97
Rot. Bonds4

About 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine

3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine (PubChem CID 79343820) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine
PubChem CID79343820
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC Name3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2ccc(Br)cc2)s1)CNC(C)(C)C
InChIInChI=1S/C18H22BrNS/c1-13(12-20-18(2,3)4)11-16-9-10-17(21-16)14-5-7-15(19)8-6-14/h5-11,20H,12H2,1-4H3
InChIKeyUDWBBUOQFOXEBK-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine?
The IUPAC name of 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine (CID 79343820) is 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine is CC(=Cc1ccc(-c2ccc(Br)cc2)s1)CNC(C)(C)C.
What is the InChIKey of 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine?
The InChIKey is UDWBBUOQFOXEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-13(12-20-18(2,3)4)11-16-9-10-17(21-16)14-5-7-15(19)8-6-14/h5-11,20H,12H2,1-4H3.
What are the key properties of 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine?
3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine has a molecular weight of 364.35 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)thiophen-2-yl]-N-tert-butyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79343820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).