1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine

C14H16BrNS — CID 81472047

IUPAC1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H16BrNS/c1-10-5-6-11(8-13(10)15)14(16-2)9-12-4-3-7-17-12/h3-8,14,16H,9H2,1-2H3
InChIKeyLCXSXWPLSSHPAY-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.32
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine

1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 81472047) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
PubChem CID81472047
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
SMILESCNC(Cc1cccs1)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H16BrNS/c1-10-5-6-11(8-13(10)15)14(16-2)9-12-4-3-7-17-12/h3-8,14,16H,9H2,1-2H3
InChIKeyLCXSXWPLSSHPAY-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bromonaphthalen-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 115354104
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
N-methyl-1-(5-methyl-3-pyridinyl)-2-thiophen-2-ylethanamine
CID 115374448
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
2-(2-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810219
[1-(4-bromo-3-chlorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105295531
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 106269029
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine (CID 81472047) is 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine is CNC(Cc1cccs1)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is LCXSXWPLSSHPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-5-6-11(8-13(10)15)14(16-2)9-12-4-3-7-17-12/h3-8,14,16H,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine?
1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 81472047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).