(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine

C7H10BrNS — CID 102839149

IUPAC(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
SMILESCc1sc([C@@H](C)N)cc1Br
InChIInChI=1S/C7H10BrNS/c1-4(9)7-3-6(8)5(2)10-7/h3-4H,9H2,1-2H3/t4-/m1/s1
InChIKeyJGWMTVVBRAUCSP-SCSAIBSYSA-N
MW220.14 g/mol
LogP2.84
Rot. Bonds1

About (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine

(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine (PubChem CID 102839149) has the molecular formula C7H10BrNS and a molecular weight of 220.14 g/mol. Its IUPAC name is (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
PubChem CID102839149
Molecular FormulaC7H10BrNS
Molecular Weight220.14 g/mol
Exact Mass218.97
IUPAC Name(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
SMILESCc1sc([C@@H](C)N)cc1Br
InChIInChI=1S/C7H10BrNS/c1-4(9)7-3-6(8)5(2)10-7/h3-4H,9H2,1-2H3/t4-/m1/s1
InChIKeyJGWMTVVBRAUCSP-SCSAIBSYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 130553169
1-(4-bromo-5-methylthiophen-2-yl)-3-methylpentan-1-amine
CID 102827028
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-methylthiophene
CID 103514682
2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102838255
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyacetamide
CID 102843536
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 102827024
(3-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827156
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827023
3-bromo-5-[bromo(cyclobutyl)methyl]-2-methylthiophene
CID 102835800
2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine
CID 102845248

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine (CID 102839149) is (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine is Cc1sc([C@@H](C)N)cc1Br.
What is the InChIKey of (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine?
The InChIKey is JGWMTVVBRAUCSP-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-4(9)7-3-6(8)5(2)10-7/h3-4H,9H2,1-2H3/t4-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine?
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine has a molecular weight of 220.14 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 102839149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).