(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride

C7H9BrClNS — CID 171211010

IUPAC(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1sccc1Br.Cl
InChIInChI=1S/C7H8BrNS.ClH/c1-2-6(9)7-5(8)3-4-10-7;/h2-4,6H,1,9H2;1H/t6-;/m1./s1
InChIKeyYZLUJNHQHHPZSX-FYZOBXCZSA-N
MW254.58 g/mol
LogP3.12
Rot. Bonds2

About (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride

(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride (PubChem CID 171211010) has the molecular formula C7H9BrClNS and a molecular weight of 254.58 g/mol. Its IUPAC name is (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
PubChem CID171211010
Molecular FormulaC7H9BrClNS
Molecular Weight254.58 g/mol
Exact Mass252.93
IUPAC Name(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1sccc1Br.Cl
InChIInChI=1S/C7H8BrNS.ClH/c1-2-6(9)7-5(8)3-4-10-7;/h2-4,6H,1,9H2;1H/t6-;/m1./s1
InChIKeyYZLUJNHQHHPZSX-FYZOBXCZSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-chlorothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171203185
(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine
CID 130706324
(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine
CID 55274809
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171211024
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride (CID 171211010) is (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1sccc1Br.Cl.
What is the InChIKey of (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride?
The InChIKey is YZLUJNHQHHPZSX-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H8BrNS.ClH/c1-2-6(9)7-5(8)3-4-10-7;/h2-4,6H,1,9H2;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride has a molecular weight of 254.58 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171211010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).