1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine

C14H16BrNS — CID 79594994

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1cscc1Br
InChIInChI=1S/C14H16BrNS/c1-10-4-3-5-11(6-10)7-14(16-2)12-8-17-9-13(12)15/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyYKLYWKKNEXMWHX-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.32
Rot. Bonds4

About 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine

1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 79594994) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID79594994
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1cscc1Br
InChIInChI=1S/C14H16BrNS/c1-10-4-3-5-11(6-10)7-14(16-2)12-8-17-9-13(12)15/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyYKLYWKKNEXMWHX-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-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
CID 79595314
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 65434304
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754
[1-(2-bromo-4-methylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285025
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 81155614
2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 62516727
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 107945076
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79594998
N-[1-(4-bromothiophen-3-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 79596087

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 79594994) is 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is YKLYWKKNEXMWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10-4-3-5-11(6-10)7-14(16-2)12-8-17-9-13(12)15/h3-6,8-9,14,16H,7H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine 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-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 79594994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).