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

C6H8BrNS — CID 64712232

IUPAC(1S)-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-/m0/s1
InChIKeyAXVSYXUKBUXMHZ-BYPYZUCNSA-N
MW206.11 g/mol
LogP2.53
Rot. Bonds1

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

(1S)-1-(4-bromothiophen-2-yl)ethanamine (PubChem CID 64712232) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is (1S)-1-(4-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromothiophen-2-yl)ethanamine
PubChem CID64712232
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name(1S)-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-/m0/s1
InChIKeyAXVSYXUKBUXMHZ-BYPYZUCNSA-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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Related Compounds

(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
2-amino-1-(4-bromothiophen-2-yl)-3-methylbutan-1-ol
CID 21152201
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 82295003
2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanenitrile
CID 116946358
1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949880
(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
CID 95457413
(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
1-(4-bromo-3,5-dimethylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107722699
amino 2-(4-bromothiophen-2-yl)propanoate
CID 90857194

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromothiophen-2-yl)ethanamine?
The IUPAC name of (1S)-1-(4-bromothiophen-2-yl)ethanamine (CID 64712232) is (1S)-1-(4-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(4-bromothiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(4-bromothiophen-2-yl)ethanamine is C[C@H](N)c1cc(Br)cs1.
What is the InChIKey of (1S)-1-(4-bromothiophen-2-yl)ethanamine?
The InChIKey is AXVSYXUKBUXMHZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8BrNS/c1-4(8)6-2-5(7)3-9-6/h2-4H,8H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(4-bromothiophen-2-yl)ethanamine?
(1S)-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 (1S)-1-(4-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 64712232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).