1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine

C15H18BrNS — CID 107577065

IUPAC1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCc1cc(Br)cc(-c2ccc(C(N)C(C)C)s2)c1
InChIInChI=1S/C15H18BrNS/c1-9(2)15(17)14-5-4-13(18-14)11-6-10(3)7-12(16)8-11/h4-9,15H,17H2,1-3H3
InChIKeyXNIUNWIAEHTELZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.14
Rot. Bonds3

About 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine

1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine (PubChem CID 107577065) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
PubChem CID107577065
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCc1cc(Br)cc(-c2ccc(C(N)C(C)C)s2)c1
InChIInChI=1S/C15H18BrNS/c1-9(2)15(17)14-5-4-13(18-14)11-6-10(3)7-12(16)8-11/h4-9,15H,17H2,1-3H3
InChIKeyXNIUNWIAEHTELZ-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154369
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]-2-methylpropan-1-amine
CID 65490846
2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
CID 43331832
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
1-[5-(3-bromo-4-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114262318
2-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]propan-1-amine
CID 43154485
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 65491239
(3-bromo-5-methylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 104851096
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154444

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine (CID 107577065) is 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine is Cc1cc(Br)cc(-c2ccc(C(N)C(C)C)s2)c1.
What is the InChIKey of 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The InChIKey is XNIUNWIAEHTELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-9(2)15(17)14-5-4-13(18-14)11-6-10(3)7-12(16)8-11/h4-9,15H,17H2,1-3H3.
What are the key properties of 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine?
1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 107577065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).