1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine

C13H14BrNS — CID 79595314

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cscc1Br
InChIInChI=1S/C13H14BrNS/c1-15-13(11-8-16-9-12(11)14)7-10-5-3-2-4-6-10/h2-6,8-9,13,15H,7H2,1H3
InChIKeyRSHMQPBQWDVRBY-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.01
Rot. Bonds4

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

1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine (PubChem CID 79595314) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
PubChem CID79595314
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cscc1Br
InChIInChI=1S/C13H14BrNS/c1-15-13(11-8-16-9-12(11)14)7-10-5-3-2-4-6-10/h2-6,8-9,13,15H,7H2,1H3
InChIKeyRSHMQPBQWDVRBY-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79594994
1-(4-bromothiophen-3-yl)-2-phenylethanol
CID 79596144
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
1-(4-bromothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79594998
1-(4-bromothiophen-3-yl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 79595107
1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine
CID 105166680
1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105166846
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
CID 102828408
1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
CID 79595189
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79596313
1-(4-bromothiophen-3-yl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 79596411

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine (CID 79595314) is 1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine?
The InChIKey is RSHMQPBQWDVRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-15-13(11-8-16-9-12(11)14)7-10-5-3-2-4-6-10/h2-6,8-9,13,15H,7H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine?
1-(4-bromothiophen-3-yl)-N-methyl-2-phenylethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.01, 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-phenylethanamine is sourced from PubChem (CID 79595314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).