2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine

C13H14BrNOS — CID 83986369

IUPAC2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(CN)c2ccc(Br)s2)c1
InChIInChI=1S/C13H14BrNOS/c1-16-10-4-2-3-9(7-10)11(8-15)12-5-6-13(14)17-12/h2-7,11H,8,15H2,1H3
InChIKeyBPHAXXJEAPSHRU-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.61
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine

2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 83986369) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
PubChem CID83986369
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(CN)c2ccc(Br)s2)c1
InChIInChI=1S/C13H14BrNOS/c1-16-10-4-2-3-9(7-10)11(8-15)12-5-6-13(14)17-12/h2-7,11H,8,15H2,1H3
InChIKeyBPHAXXJEAPSHRU-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293
1-[(5-bromothiophen-2-yl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5130194
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(1,3-benzodioxol-5-yl)-2-(5-bromothiophen-2-yl)ethanamine
CID 83986817
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
1-(3-bromo-1-phenylpropyl)-3-methoxybenzene
CID 22325018
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 62605864
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
1-(3-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381566

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine (CID 83986369) is 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(C(CN)c2ccc(Br)s2)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is BPHAXXJEAPSHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-16-10-4-2-3-9(7-10)11(8-15)12-5-6-13(14)17-12/h2-7,11H,8,15H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 312.23 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 83986369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).