1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine

C12H12BrNS — CID 63888315

IUPAC1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C12H12BrNS/c1-14-7-12-6-10(8-15-12)9-2-4-11(13)5-3-9/h2-6,8,14H,7H2,1H3
InChIKeyRFSHNSMQENAAHI-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.90
Rot. Bonds3

About 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine

1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 63888315) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID63888315
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C12H12BrNS/c1-14-7-12-6-10(8-15-12)9-2-4-11(13)5-3-9/h2-6,8,14H,7H2,1H3
InChIKeyRFSHNSMQENAAHI-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine (CID 63888315) is 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is RFSHNSMQENAAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c1-14-7-12-6-10(8-15-12)9-2-4-11(13)5-3-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine?
1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 282.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63888315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).