(1R)-1-(4-bromothiophen-2-yl)ethanamine

C6H8BrNS — CID 78998551

IUPAC(1R)-1-(4-bromothiophen-2-yl)ethanamine
SMILESC[C@@H](N)c1cc(Br)cs1
InChIInChI=1S/C6H8BrNS/c1-4(8)6-2-5(7)3-9-6/h2-4H,8H2,1H3/t4-/m1/s1
InChIKeyAXVSYXUKBUXMHZ-SCSAIBSYSA-N
MW206.11 g/mol
LogP2.53
Rot. Bonds1

About (1R)-1-(4-bromothiophen-2-yl)ethanamine

(1R)-1-(4-bromothiophen-2-yl)ethanamine (PubChem CID 78998551) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is (1R)-1-(4-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromothiophen-2-yl)ethanamine
PubChem CID78998551
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name(1R)-1-(4-bromothiophen-2-yl)ethanamine
SMILESC[C@@H](N)c1cc(Br)cs1
InChIInChI=1S/C6H8BrNS/c1-4(8)6-2-5(7)3-9-6/h2-4H,8H2,1H3/t4-/m1/s1
InChIKeyAXVSYXUKBUXMHZ-SCSAIBSYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromothiophen-2-yl)ethanamine?
The IUPAC name of (1R)-1-(4-bromothiophen-2-yl)ethanamine (CID 78998551) is (1R)-1-(4-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(4-bromothiophen-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(4-bromothiophen-2-yl)ethanamine is C[C@@H](N)c1cc(Br)cs1.
What is the InChIKey of (1R)-1-(4-bromothiophen-2-yl)ethanamine?
The InChIKey is AXVSYXUKBUXMHZ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8BrNS/c1-4(8)6-2-5(7)3-9-6/h2-4H,8H2,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(4-bromothiophen-2-yl)ethanamine?
(1R)-1-(4-bromothiophen-2-yl)ethanamine has a molecular weight of 206.11 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 78998551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).