[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine

C12H12BrNS — CID 82766883

IUPAC[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine
SMILESCc1ccc(Br)c(-c2ccc(CN)s2)c1
InChIInChI=1S/C12H12BrNS/c1-8-2-4-11(13)10(6-8)12-5-3-9(7-14)15-12/h2-6H,7,14H2,1H3
InChIKeyBONGZUGLKMCYLO-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.94
Rot. Bonds2

About [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine

[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine (PubChem CID 82766883) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine
PubChem CID82766883
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine
SMILESCc1ccc(Br)c(-c2ccc(CN)s2)c1
InChIInChI=1S/C12H12BrNS/c1-8-2-4-11(13)10(6-8)12-5-3-9(7-14)15-12/h2-6H,7,14H2,1H3
InChIKeyBONGZUGLKMCYLO-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine (CID 82766883) is [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine is Cc1ccc(Br)c(-c2ccc(CN)s2)c1.
What is the InChIKey of [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine?
The InChIKey is BONGZUGLKMCYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-8-2-4-11(13)10(6-8)12-5-3-9(7-14)15-12/h2-6H,7,14H2,1H3.
What are the key properties of [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine?
[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine has a molecular weight of 282.21 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-5-methylphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 82766883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).