1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine

C15H18BrNS — CID 65279659

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCc1cc(Br)c(C(N)C(C)(C)c2ccccc2)s1
InChIInChI=1S/C15H18BrNS/c1-10-9-12(16)13(18-10)14(17)15(2,3)11-7-5-4-6-8-11/h4-9,14H,17H2,1-3H3
InChIKeyJQAHCETZCWCNIX-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.80
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine

1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 65279659) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
PubChem CID65279659
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
SMILESCc1cc(Br)c(C(N)C(C)(C)c2ccccc2)s1
InChIInChI=1S/C15H18BrNS/c1-10-9-12(16)13(18-10)14(17)15(2,3)11-7-5-4-6-8-11/h4-9,14H,17H2,1-3H3
InChIKeyJQAHCETZCWCNIX-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine (CID 65279659) is 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine is Cc1cc(Br)c(C(N)C(C)(C)c2ccccc2)s1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is JQAHCETZCWCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-10-9-12(16)13(18-10)14(17)15(2,3)11-7-5-4-6-8-11/h4-9,14H,17H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine?
1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 65279659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).