1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine

C13H14BrNS — CID 63798481

IUPAC1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2sccc2Br)c1
InChIInChI=1S/C13H14BrNS/c1-9-3-2-4-10(7-9)8-12(15)13-11(14)5-6-16-13/h2-7,12H,8,15H2,1H3
InChIKeyFZRMTDLEHXILTE-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.06
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine

1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 63798481) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
PubChem CID63798481
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2sccc2Br)c1
InChIInChI=1S/C13H14BrNS/c1-9-3-2-4-10(7-9)8-12(15)13-11(14)5-6-16-13/h2-7,12H,8,15H2,1H3
InChIKeyFZRMTDLEHXILTE-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 63797585
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 103402392
1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314813
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
1-(7-bromo-1-benzothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 81142132
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
1-(3-bromothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173120
1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821985
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62388506
1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067613

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine (CID 63798481) is 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)c2sccc2Br)c1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is FZRMTDLEHXILTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-3-2-4-10(7-9)8-12(15)13-11(14)5-6-16-13/h2-7,12H,8,15H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine?
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 296.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 63798481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).