(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine

C8H10BrNS — CID 103091627

IUPAC(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine
SMILESCC(N)/C=C/c1sccc1Br
InChIInChI=1S/C8H10BrNS/c1-6(10)2-3-8-7(9)4-5-11-8/h2-6H,10H2,1H3/b3-2+
InChIKeyOIAIZANHVZZINL-NSCUHMNNSA-N
MW232.15 g/mol
LogP2.87
Rot. Bonds2

About (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine

(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine (PubChem CID 103091627) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine
PubChem CID103091627
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine
SMILESCC(N)/C=C/c1sccc1Br
InChIInChI=1S/C8H10BrNS/c1-6(10)2-3-8-7(9)4-5-11-8/h2-6H,10H2,1H3/b3-2+
InChIKeyOIAIZANHVZZINL-NSCUHMNNSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(2-methoxyethenyl)thiophene
CID 59419579
(E)-3-(3-bromothiophen-2-yl)prop-2-enal
CID 115381546
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
CID 103091622
(E)-1-(3-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 127018460
(E)-4-(3-bromothiophen-2-yl)-2-oxobut-3-enoic acid
CID 103200148
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
3-bromo-2-(2,2-dibromoethenyl)thiophene
CID 86003937
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
CID 96896773
2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene
CID 66804092
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine?
The IUPAC name of (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine (CID 103091627) is (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine is CC(N)/C=C/c1sccc1Br.
What is the InChIKey of (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine?
The InChIKey is OIAIZANHVZZINL-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10BrNS/c1-6(10)2-3-8-7(9)4-5-11-8/h2-6H,10H2,1H3/b3-2+.
What are the key properties of (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine?
(E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine has a molecular weight of 232.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-bromothiophen-2-yl)but-3-en-2-amine is sourced from PubChem (CID 103091627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).