1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine

C13H14BrNOS — CID 61077956

IUPAC1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2cccs2)c1
InChIInChI=1S/C13H14BrNOS/c1-16-9-4-5-12(14)11(7-9)13(15)8-10-3-2-6-17-10/h2-7,13H,8,15H2,1H3
InChIKeyJHLDYOCSCOPSLE-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.76
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine

1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine (PubChem CID 61077956) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
PubChem CID61077956
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(Br)c(C(N)Cc2cccs2)c1
InChIInChI=1S/C13H14BrNOS/c1-16-9-4-5-12(14)11(7-9)13(15)8-10-3-2-6-17-10/h2-7,13H,8,15H2,1H3
InChIKeyJHLDYOCSCOPSLE-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(2-bromo-5-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 105098960
1-(2-bromo-5-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 55067613
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171204828
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115861031
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 105180937
1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
CID 117246169
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65325080
1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
CID 105126878

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine (CID 61077956) is 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine is COc1ccc(Br)c(C(N)Cc2cccs2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine?
The InChIKey is JHLDYOCSCOPSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-16-9-4-5-12(14)11(7-9)13(15)8-10-3-2-6-17-10/h2-7,13H,8,15H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine?
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine has a molecular weight of 312.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 61077956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).