1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine

C13H14BrNS — CID 107626419

IUPAC1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc(Br)c2C)s1
InChIInChI=1S/C13H14BrNS/c1-9-11(4-3-5-12(9)14)13-7-6-10(16-13)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyHAQUQOOZHNHNCW-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.21
Rot. Bonds3

About 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine

1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 107626419) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID107626419
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cccc(Br)c2C)s1
InChIInChI=1S/C13H14BrNS/c1-9-11(4-3-5-12(9)14)13-7-6-10(16-13)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyHAQUQOOZHNHNCW-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine (CID 107626419) is 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(-c2cccc(Br)c2C)s1.
What is the InChIKey of 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is HAQUQOOZHNHNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-11(4-3-5-12(9)14)13-7-6-10(16-13)8-15-2/h3-7,15H,8H2,1-2H3.
What are the key properties of 1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine?
1-[5-(3-bromo-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.21, 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-2-methylphenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107626419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).